N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide

C27H25N5O — CID 163407704

About N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide

N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide (PubChem CID 163407704) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 163407704
• Molecular Formula: C27H25N5O
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.21
• IUPAC Name: N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide
• SMILES: Cc1ccc2cc(Cc3cncc(C(=O)NCc4c(C)nc5[nH]ccc5c4C)c3)ccc2n1
• InChI: InChI=1S/C27H25N5O/c1-16-4-6-21-11-19(5-7-25(21)31-16)10-20-12-22(14-28-13-20)27(33)30-15-24-17(2)23-8-9-29-26(23)32-18(24)3/h4-9,11-14H,10,15H2,1-3H3,(H,29,32)(H,30,33)
• InChIKey: LGHSOUBTKFLVOU-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide (CID 163407704) is N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide is Cc1ccc2cc(Cc3cncc(C(=O)NCc4c(C)nc5[nH]ccc5c4C)c3)ccc2n1.

What is the InChIKey of N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?

The InChIKey is LGHSOUBTKFLVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-16-4-6-21-11-19(5-7-25(21)31-16)10-20-12-22(14-28-13-20)27(33)30-15-24-17(2)23-8-9-29-26(23)32-18(24)3/h4-9,11-14H,10,15H2,1-3H3,(H,29,32)(H,30,33).

What are the key properties of N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?

N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 163407704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).