N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C15H22N4O — CID 125435082

IUPACN-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESC[C@H](NC(=O)N1CCc2nc[nH]c2C1)C1=CCCCC1
InChIInChI=1S/C15H22N4O/c1-11(12-5-3-2-4-6-12)18-15(20)19-8-7-13-14(9-19)17-10-16-13/h5,10-11H,2-4,6-9H2,1H3,(H,16,17)(H,18,20)/t11-/m0/s1
InChIKeyWMQMKUAGARVULB-NSHDSACASA-N
MW274.37 g/mol
LogP2.37
Rot. Bonds2

About N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 125435082) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID125435082
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESC[C@H](NC(=O)N1CCc2nc[nH]c2C1)C1=CCCCC1
InChIInChI=1S/C15H22N4O/c1-11(12-5-3-2-4-6-12)18-15(20)19-8-7-13-14(9-19)17-10-16-13/h5,10-11H,2-4,6-9H2,1H3,(H,16,17)(H,18,20)/t11-/m0/s1
InChIKeyWMQMKUAGARVULB-NSHDSACASA-N
XLogP2.37
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide with MolForge

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Related Compounds

(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303
N-methyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57079776
N-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145266
3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid
CID 22556950
N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145309
methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate
CID 53145285
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 21330718
N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 89183129
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
N-cyclopentyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57176280
2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 53145210

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 125435082) is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is C[C@H](NC(=O)N1CCc2nc[nH]c2C1)C1=CCCCC1.
What is the InChIKey of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is WMQMKUAGARVULB-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(12-5-3-2-4-6-12)18-15(20)19-8-7-13-14(9-19)17-10-16-13/h5,10-11H,2-4,6-9H2,1H3,(H,16,17)(H,18,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 125435082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).