2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide

C27H36ClN5O2 — CID 156907524

About 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide

2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide (PubChem CID 156907524) has the molecular formula C27H36ClN5O2 and a molecular weight of 498.07 g/mol. Its IUPAC name is 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide
• PubChem CID: 156907524
• Molecular Formula: C27H36ClN5O2
• Molecular Weight: 498.07 g/mol
• Exact Mass: 497.26
• IUPAC Name: 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(Cl)cn2c(C(C)N2CCC(N(C)C)CC2)c1C
• InChI: InChI=1S/C27H36ClN5O2/c1-16-11-17(2)30-27(35)24(16)14-29-26(34)23-13-22-12-20(28)15-33(22)25(18(23)3)19(4)32-9-7-21(8-10-32)31(5)6/h11-13,15,19,21,24H,7-10,14H2,1-6H3,(H,29,34)
• InChIKey: DYAIFOJXRQKSHQ-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 69.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.07
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?

The IUPAC name of 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide (CID 156907524) is 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide.

What is the SMILES notation for 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?

The canonical SMILES for 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(Cl)cn2c(C(C)N2CCC(N(C)C)CC2)c1C.

What is the InChIKey of 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?

The InChIKey is DYAIFOJXRQKSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN5O2/c1-16-11-17(2)30-27(35)24(16)14-29-26(34)23-13-22-12-20(28)15-33(22)25(18(23)3)19(4)32-9-7-21(8-10-32)31(5)6/h11-13,15,19,21,24H,7-10,14H2,1-6H3,(H,29,34).

What are the key properties of 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?

2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide has a molecular weight of 498.07 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide is sourced from PubChem (CID 156907524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).