N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C20H19N5O2 — CID 176504746

IUPACN-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCCc1ccco1)c1cnc2c(c1)ncn2Cc1cccnc1
InChIInChI=1S/C20H19N5O2/c26-20(22-8-2-5-17-6-3-9-27-17)16-10-18-19(23-12-16)25(14-24-18)13-15-4-1-7-21-11-15/h1,3-4,6-7,9-12,14H,2,5,8,13H2,(H,22,26)
InChIKeyMWVZBLYLPWCHAO-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.83
Rot. Bonds7

About N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176504746) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176504746
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCCc1ccco1)c1cnc2c(c1)ncn2Cc1cccnc1
InChIInChI=1S/C20H19N5O2/c26-20(22-8-2-5-17-6-3-9-27-17)16-10-18-19(23-12-16)25(14-24-18)13-15-4-1-7-21-11-15/h1,3-4,6-7,9-12,14H,2,5,8,13H2,(H,22,26)
InChIKeyMWVZBLYLPWCHAO-UHFFFAOYSA-N
XLogP2.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175645040
N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 20946798
3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503465
N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175642857
5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104870
N-[3-(furan-2-ylmethoxy)propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55853611
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501362
3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 175641326
N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2204091
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 176505498

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176504746) is N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCCCc1ccco1)c1cnc2c(c1)ncn2Cc1cccnc1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MWVZBLYLPWCHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-20(22-8-2-5-17-6-3-9-27-17)16-10-18-19(23-12-16)25(14-24-18)13-15-4-1-7-21-11-15/h1,3-4,6-7,9-12,14H,2,5,8,13H2,(H,22,26).
What are the key properties of N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176504746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).