N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C17H22N4O — CID 53145309

IUPACN-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C17H22N4O/c1-2-3-4-13-5-7-14(8-6-13)20-17(22)21-10-9-15-16(11-21)19-12-18-15/h5-8,12H,2-4,9-11H2,1H3,(H,18,19)(H,20,22)
InChIKeyMHPUVNAEOCPNFR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.34
Rot. Bonds4

About N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 53145309) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID53145309
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C17H22N4O/c1-2-3-4-13-5-7-14(8-6-13)20-17(22)21-10-9-15-16(11-21)19-12-18-15/h5-8,12H,2-4,9-11H2,1H3,(H,18,19)(H,20,22)
InChIKeyMHPUVNAEOCPNFR-UHFFFAOYSA-N
XLogP3.34
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate
CID 53145285
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
N-(3-chloro-4-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145264
N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 89183129
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
2-(4-ethoxyphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 110742005
2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617432
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393229
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 110712801
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 53145309) is N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is CCCCc1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is MHPUVNAEOCPNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-3-4-13-5-7-14(8-6-13)20-17(22)21-10-9-15-16(11-21)19-12-18-15/h5-8,12H,2-4,9-11H2,1H3,(H,18,19)(H,20,22).
What are the key properties of N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 53145309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).