carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C83H95N13O3 — CID 160620471

About carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 160620471) has the molecular formula C83H95N13O3 and a molecular weight of 1322.76 g/mol. Its IUPAC name is carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 160620471
• Molecular Formula: C83H95N13O3
• Molecular Weight: 1322.76 g/mol
• Exact Mass: 1321.77
• IUPAC Name: carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C=C(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CNc2ccccn2)CCN(C)C1.Cc1ccc2c3c(n(CCc4ccc(C)nc4)c2c1)CCN(C)C3.O=C=O
• InChI: InChI=1S/C21H25N3O.C21H25N3.C21H23N3.C19H22N4.CO2/c1-15-6-7-19-17(11-15)18-13-23(3)10-8-20(18)24(19)14-21(2,25)16-5-4-9-22-12-16;1-15-4-7-18-19-14-23(3)10-9-20(19)24(21(18)12-15)11-8-17-6-5-16(2)22-13-17;1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17;1-14-6-7-17-15(11-14)16-12-22(2)10-8-18(16)23(17)13-21-19-5-3-4-9-20-19;2-1-3/h4-7,9,11-12,25H,8,10,13-14H2,1-3H3;4-7,12-13H,8-11,14H2,1-3H3;4-7,9-10,12H,2,8,11,13-14H2,1,3H3;3-7,9,11H,8,10,12-13H2,1-2H3,(H,20,21)
• InChIKey: RGQDCHCAYYIQPK-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 150.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1322.76
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 160620471) is carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is C=C(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CNc2ccccn2)CCN(C)C1.Cc1ccc2c3c(n(CCc4ccc(C)nc4)c2c1)CCN(C)C3.O=C=O.

What is the InChIKey of carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is RGQDCHCAYYIQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C21H25N3.C21H23N3.C19H22N4.CO2/c1-15-6-7-19-17(11-15)18-13-23(3)10-8-20(18)24(19)14-21(2,25)16-5-4-9-22-12-16;1-15-4-7-18-19-14-23(3)10-9-20(19)24(21(18)12-15)11-8-17-6-5-16(2)22-13-17;1-15-4-5-20-18(12-15)19-14-23(3)11-8-21(19)24(20)13-16(2)17-6-9-22-10-7-17;1-14-6-7-17-15(11-14)16-12-22(2)10-8-18(16)23(17)13-21-19-5-3-4-9-20-19;2-1-3/h4-7,9,11-12,25H,8,10,13-14H2,1-3H3;4-7,12-13H,8-11,14H2,1-3H3;4-7,9-10,12H,2,8,11,13-14H2,1,3H3;3-7,9,11H,8,10,12-13H2,1-2H3,(H,20,21);.

What are the key properties of carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1322.76 g/mol, XLogP of 13.99, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;N-[(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridin-2-amine;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2,7-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 160620471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).