N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H21N5O2 — CID 79354321

IUPACN-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H21N5O2/c1-2-3-4-18(7-12(14)19)13(20)10-5-9-11(6-15-10)17-8-16-9/h8,10,15H,2-7H2,1H3,(H2,14,19)(H,16,17)
InChIKeyPQPPQQGBWKRSJI-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.46
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79354321) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79354321
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H21N5O2/c1-2-3-4-18(7-12(14)19)13(20)10-5-9-11(6-15-10)17-8-16-9/h8,10,15H,2-7H2,1H3,(H2,14,19)(H,16,17)
InChIKeyPQPPQQGBWKRSJI-UHFFFAOYSA-N
XLogP-0.46
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79354321) is N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CCCCN(CC(N)=O)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is PQPPQQGBWKRSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-3-4-18(7-12(14)19)13(20)10-5-9-11(6-15-10)17-8-16-9/h8,10,15H,2-7H2,1H3,(H2,14,19)(H,16,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79354321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).