N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C19H19N5O2 — CID 176504391

IUPACN-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1(CO)CC=CC1)c1cnc2c(c1)ncn2Cc1ccccn1
InChIInChI=1S/C19H19N5O2/c25-12-19(6-2-3-7-19)23-18(26)14-9-16-17(21-10-14)24(13-22-16)11-15-5-1-4-8-20-15/h1-5,8-10,13,25H,6-7,11-12H2,(H,23,26)
InChIKeyCZUDBFCBTFVHCV-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.69
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176504391) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176504391
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1(CO)CC=CC1)c1cnc2c(c1)ncn2Cc1ccccn1
InChIInChI=1S/C19H19N5O2/c25-12-19(6-2-3-7-19)23-18(26)14-9-16-17(21-10-14)24(13-22-16)11-15-5-1-4-8-20-15/h1-5,8-10,13,25H,6-7,11-12H2,(H,23,26)
InChIKeyCZUDBFCBTFVHCV-UHFFFAOYSA-N
XLogP1.69
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176504391) is N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is O=C(NC1(CO)CC=CC1)c1cnc2c(c1)ncn2Cc1ccccn1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is CZUDBFCBTFVHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-12-19(6-2-3-7-19)23-18(26)14-9-16-17(21-10-14)24(13-22-16)11-15-5-1-4-8-20-15/h1-5,8-10,13,25H,6-7,11-12H2,(H,23,26).
What are the key properties of N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176504391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).