5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

C18H25N7O2 — CID 90354146

About 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 90354146) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
• PubChem CID: 90354146
• Molecular Formula: C18H25N7O2
• Molecular Weight: 371.45 g/mol
• Exact Mass: 371.21
• IUPAC Name: 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
• SMILES: Cc1cc(C)nc(Nc2cc(NCC(N)C(=O)N(C)C)cnc2C(N)=O)c1
• InChI: InChI=1S/C18H25N7O2/c1-10-5-11(2)23-15(6-10)24-14-7-12(8-22-16(14)17(20)26)21-9-13(19)18(27)25(3)4/h5-8,13,21H,9,19H2,1-4H3,(H2,20,26)(H,23,24)
• InChIKey: XXRUBZUVUWFWBT-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 139.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.45
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?

The IUPAC name of 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (CID 90354146) is 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?

The canonical SMILES for 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is Cc1cc(C)nc(Nc2cc(NCC(N)C(=O)N(C)C)cnc2C(N)=O)c1.

What is the InChIKey of 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?

The InChIKey is XXRUBZUVUWFWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-10-5-11(2)23-15(6-10)24-14-7-12(8-22-16(14)17(20)26)21-9-13(19)18(27)25(3)4/h5-8,13,21H,9,19H2,1-4H3,(H2,20,26)(H,23,24).

What are the key properties of 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?

5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 0.76, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-amino-3-(dimethylamino)-3-oxopropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 90354146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).