N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide

C18H22N6O — CID 56868319

IUPACN-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C18H22N6O/c1-13(2)17-19-9-11-24(17)10-3-7-20-18(25)14-4-5-15(21-12-14)16-6-8-22-23-16/h4-6,8-9,11-13H,3,7,10H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyNMVHHJHMGGJEQO-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.61
Rot. Bonds7

About N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide

N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 56868319) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
PubChem CID56868319
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C18H22N6O/c1-13(2)17-19-9-11-24(17)10-3-7-20-18(25)14-4-5-15(21-12-14)16-6-8-22-23-16/h4-6,8-9,11-13H,3,7,10H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyNMVHHJHMGGJEQO-UHFFFAOYSA-N
XLogP2.61
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56754487
6-(3-ethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758963
6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56749613
6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56755506
6-(4-methyl-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 42518469
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000
6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758064
6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95200014
6-[(4S)-4-methylazepan-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95197886
6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
CID 131890612
1-(difluoromethyl)-5-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrrole-2-carboxamide
CID 121494848

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 56868319) is N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide is CC(C)c1nccn1CCCNC(=O)c1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is NMVHHJHMGGJEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13(2)17-19-9-11-24(17)10-3-7-20-18(25)14-4-5-15(21-12-14)16-6-8-22-23-16/h4-6,8-9,11-13H,3,7,10H2,1-2H3,(H,20,25)(H,22,23).
What are the key properties of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 56868319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).