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

C16H26N4OS — CID 70774438

IUPACN-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCCCSC1CCCCC1)C1NCCc2[nH]cnc21
InChIInChI=1S/C16H26N4OS/c21-16(15-14-13(7-9-17-15)19-11-20-14)18-8-4-10-22-12-5-2-1-3-6-12/h11-12,15,17H,1-10H2,(H,18,21)(H,19,20)
InChIKeyPDHVDSKBPCEYEN-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.17
Rot. Bonds6

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

N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 70774438) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID70774438
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCCCSC1CCCCC1)C1NCCc2[nH]cnc21
InChIInChI=1S/C16H26N4OS/c21-16(15-14-13(7-9-17-15)19-11-20-14)18-8-4-10-22-12-5-2-1-3-6-12/h11-12,15,17H,1-10H2,(H,18,21)(H,19,20)
InChIKeyPDHVDSKBPCEYEN-UHFFFAOYSA-N
XLogP2.17
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 25338854
(6S)-N-cyclohexyl-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
CID 25338911
N-[3-(cyclohexyloxy)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70730748
3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738970
3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738971
2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide
CID 166632536
(6S)-N-cyclohexyl-5-(cyclopropanecarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
CID 25338857
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide dihydrochloride
CID 70706363
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70781629
2,2-dimethyl-5-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-ylcarbonyl)thiomorpholin-3-one
CID 72928262
N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70764187
N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 106428125

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 70774438) is N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is O=C(NCCCSC1CCCCC1)C1NCCc2[nH]cnc21.
What is the InChIKey of N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is PDHVDSKBPCEYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c21-16(15-14-13(7-9-17-15)19-11-20-14)18-8-4-10-22-12-5-2-1-3-6-12/h11-12,15,17H,1-10H2,(H,18,21)(H,19,20).
What are the key properties of N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfanylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 70774438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).