(6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C18H27N5O2 — CID 25338854

IUPAC(6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C([C@@H]1Cc2nc[nH]c2CN1C(=O)NC1CCCCC1)N1CCCC1
InChIInChI=1S/C18H27N5O2/c24-17(22-8-4-5-9-22)16-10-14-15(20-12-19-14)11-23(16)18(25)21-13-6-2-1-3-7-13/h12-13,16H,1-11H2,(H,19,20)(H,21,25)/t16-/m0/s1
InChIKeyKBGFTOYZSVCMLB-INIZCTEOSA-N
MW345.45 g/mol
LogP1.80
Rot. Bonds2

About (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

(6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 25338854) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID25338854
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C([C@@H]1Cc2nc[nH]c2CN1C(=O)NC1CCCCC1)N1CCCC1
InChIInChI=1S/C18H27N5O2/c24-17(22-8-4-5-9-22)16-10-14-15(20-12-19-14)11-23(16)18(25)21-13-6-2-1-3-7-13/h12-13,16H,1-11H2,(H,19,20)(H,21,25)/t16-/m0/s1
InChIKeyKBGFTOYZSVCMLB-INIZCTEOSA-N
XLogP1.80
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 25338854) is (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is O=C([C@@H]1Cc2nc[nH]c2CN1C(=O)NC1CCCCC1)N1CCCC1.
What is the InChIKey of (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is KBGFTOYZSVCMLB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-17(22-8-4-5-9-22)16-10-14-15(20-12-19-14)11-23(16)18(25)21-13-6-2-1-3-7-13/h12-13,16H,1-11H2,(H,19,20)(H,21,25)/t16-/m0/s1.
What are the key properties of (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
(6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 25338854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).