(4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C13H16N6O — CID 95889417

IUPAC(4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCN(Cc1cnccn1)C(=O)[C@@H]1NCCc2[nH]cnc21
InChIInChI=1S/C13H16N6O/c1-19(7-9-6-14-4-5-15-9)13(20)12-11-10(2-3-16-12)17-8-18-11/h4-6,8,12,16H,2-3,7H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyUTQFDTQTNWYXAB-GFCCVEGCSA-N
MW272.31 g/mol
LogP0.05
Rot. Bonds3

About (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

(4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 95889417) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID95889417
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCN(Cc1cnccn1)C(=O)[C@@H]1NCCc2[nH]cnc21
InChIInChI=1S/C13H16N6O/c1-19(7-9-6-14-4-5-15-9)13(20)12-11-10(2-3-16-12)17-8-18-11/h4-6,8,12,16H,2-3,7H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyUTQFDTQTNWYXAB-GFCCVEGCSA-N
XLogP0.05
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 95889417) is (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is CN(Cc1cnccn1)C(=O)[C@@H]1NCCc2[nH]cnc21.
What is the InChIKey of (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is UTQFDTQTNWYXAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N6O/c1-19(7-9-6-14-4-5-15-9)13(20)12-11-10(2-3-16-12)17-8-18-11/h4-6,8,12,16H,2-3,7H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
(4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 95889417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).