(6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

C17H24N4O2 — CID 25338857

IUPAC(6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1Cc2nc[nH]c2CN1C(=O)C1CC1
InChIInChI=1S/C17H24N4O2/c22-16(20-12-4-2-1-3-5-12)15-8-13-14(19-10-18-13)9-21(15)17(23)11-6-7-11/h10-12,15H,1-9H2,(H,18,19)(H,20,22)/t15-/m0/s1
InChIKeyPCAOLTREZGRBCO-HNNXBMFYSA-N
MW316.41 g/mol
LogP1.52
Rot. Bonds3

About (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

(6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 25338857) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID25338857
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1Cc2nc[nH]c2CN1C(=O)C1CC1
InChIInChI=1S/C17H24N4O2/c22-16(20-12-4-2-1-3-5-12)15-8-13-14(19-10-18-13)9-21(15)17(23)11-6-7-11/h10-12,15H,1-9H2,(H,18,19)(H,20,22)/t15-/m0/s1
InChIKeyPCAOLTREZGRBCO-HNNXBMFYSA-N
XLogP1.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (CID 25338857) is (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is O=C(NC1CCCCC1)[C@@H]1Cc2nc[nH]c2CN1C(=O)C1CC1.
What is the InChIKey of (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is PCAOLTREZGRBCO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(20-12-4-2-1-3-5-12)15-8-13-14(19-10-18-13)9-21(15)17(23)11-6-7-11/h10-12,15H,1-9H2,(H,18,19)(H,20,22)/t15-/m0/s1.
What are the key properties of (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
(6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 25338857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).