N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C27H28N6O3 — CID 3865479

IUPACN-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)n1
InChIInChI=1S/C27H28N6O3/c1-19-6-8-23(27(35)31(2)18-22-5-3-16-36-22)25(30-19)20-10-14-32(15-11-20)26(34)21-7-9-24(28-17-21)33-13-4-12-29-33/h3-9,12-13,16-17,20H,10-11,14-15,18H2,1-2H3
InChIKeyFVHDLLUMILQNSK-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.86
Rot. Bonds6

About N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 3865479) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID3865479
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC NameN-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)n1
InChIInChI=1S/C27H28N6O3/c1-19-6-8-23(27(35)31(2)18-22-5-3-16-36-22)25(30-19)20-10-14-32(15-11-20)26(34)21-7-9-24(28-17-21)33-13-4-12-29-33/h3-9,12-13,16-17,20H,10-11,14-15,18H2,1-2H3
InChIKeyFVHDLLUMILQNSK-UHFFFAOYSA-N
XLogP3.86
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3471169
N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 3549936
N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 5003727
2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3307942
[(1S)-2-[4-[3-[furan-2-ylmethyl(methyl)carbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 74225390
[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 127246620
2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3703018
N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 6298335
N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852094
N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852096
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110115882
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 3865479) is N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FVHDLLUMILQNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-19-6-8-23(27(35)31(2)18-22-5-3-16-36-22)25(30-19)20-10-14-32(15-11-20)26(34)21-7-9-24(28-17-21)33-13-4-12-29-33/h3-9,12-13,16-17,20H,10-11,14-15,18H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3865479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).