(4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C22H24N4O — CID 125445481

IUPAC(4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1NCCc2[nH]cnc21
InChIInChI=1S/C22H24N4O/c27-22(21-20-19(12-14-23-21)25-15-26-20)24-13-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18,21,23H,11-14H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyQROSNNSGDJSDRS-NRFANRHFSA-N
MW360.46 g/mol
LogP2.93
Rot. Bonds6

About (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

(4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 125445481) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID125445481
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1NCCc2[nH]cnc21
InChIInChI=1S/C22H24N4O/c27-22(21-20-19(12-14-23-21)25-15-26-20)24-13-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18,21,23H,11-14H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyQROSNNSGDJSDRS-NRFANRHFSA-N
XLogP2.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893769
(4R)-N-(3-cyclohexyloxypropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95868430
N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70769656
(4S)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95872075
(4S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95862076
(4S)-N-[3-(2-ethylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 125437460
(4R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95866555
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70724211
(4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95871408
(4S)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95885150
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70751357
(4R)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893801

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 125445481) is (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1NCCc2[nH]cnc21.
What is the InChIKey of (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is QROSNNSGDJSDRS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(21-20-19(12-14-23-21)25-15-26-20)24-13-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18,21,23H,11-14H2,(H,24,27)(H,25,26)/t21-/m0/s1.
What are the key properties of (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
(4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 125445481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).