(4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C19H25N5O — CID 95895097

IUPAC(4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C([C@H]1NCCc2[nH]cnc21)N(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C19H25N5O/c25-19(18-17-16(9-11-21-18)22-13-23-17)24(15-7-2-1-3-8-15)12-14-6-4-5-10-20-14/h4-6,10,13,15,18,21H,1-3,7-9,11-12H2,(H,22,23)/t18-/m0/s1
InChIKeyMDQROUARXVQNAA-SFHVURJKSA-N
MW339.44 g/mol
LogP2.35
Rot. Bonds4

About (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

(4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 95895097) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID95895097
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C([C@H]1NCCc2[nH]cnc21)N(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C19H25N5O/c25-19(18-17-16(9-11-21-18)22-13-23-17)24(15-7-2-1-3-8-15)12-14-6-4-5-10-20-14/h4-6,10,13,15,18,21H,1-3,7-9,11-12H2,(H,22,23)/t18-/m0/s1
InChIKeyMDQROUARXVQNAA-SFHVURJKSA-N
XLogP2.35
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 95895097) is (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is O=C([C@H]1NCCc2[nH]cnc21)N(Cc1ccccn1)C1CCCCC1.
What is the InChIKey of (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is MDQROUARXVQNAA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(18-17-16(9-11-21-18)22-13-23-17)24(15-7-2-1-3-8-15)12-14-6-4-5-10-20-14/h4-6,10,13,15,18,21H,1-3,7-9,11-12H2,(H,22,23)/t18-/m0/s1.
What are the key properties of (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
(4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-cyclohexyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 95895097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).