N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C14H21N5O2 — CID 79352452

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H21N5O2/c20-13(19-5-1-2-6-19)3-4-15-14(21)11-7-10-12(8-16-11)18-9-17-10/h9,11,16H,1-8H2,(H,15,21)(H,17,18)
InChIKeyWDQLVDNTUXVSJW-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.45
Rot. Bonds4

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352452) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79352452
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H21N5O2/c20-13(19-5-1-2-6-19)3-4-15-14(21)11-7-10-12(8-16-11)18-9-17-10/h9,11,16H,1-8H2,(H,15,21)(H,17,18)
InChIKeyWDQLVDNTUXVSJW-UHFFFAOYSA-N
XLogP-0.45
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352452) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NCCC(=O)N1CCCC1)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WDQLVDNTUXVSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-13(19-5-1-2-6-19)3-4-15-14(21)11-7-10-12(8-16-11)18-9-17-10/h9,11,16H,1-8H2,(H,15,21)(H,17,18).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 291.35 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).