N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C22H24N6O2 — CID 134557557

IUPACN-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESCN1CCCC(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)C1
InChIInChI=1S/C22H24N6O2/c1-28-12-4-5-15(14-28)21(29)24-16-6-2-7-17(13-16)25-22(30)20-9-3-8-18(26-20)19-10-11-23-27-19/h2-3,6-11,13,15H,4-5,12,14H2,1H3,(H,23,27)(H,24,29)(H,25,30)
InChIKeyPPJKLJLMXJUNEV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.00
Rot. Bonds5

About N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 134557557) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
PubChem CID134557557
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESCN1CCCC(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)C1
InChIInChI=1S/C22H24N6O2/c1-28-12-4-5-15(14-28)21(29)24-16-6-2-7-17(13-16)25-22(30)20-9-3-8-18(26-20)19-10-11-23-27-19/h2-3,6-11,13,15H,4-5,12,14H2,1H3,(H,23,27)(H,24,29)(H,25,30)
InChIKeyPPJKLJLMXJUNEV-UHFFFAOYSA-N
XLogP3.00
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
N-[3-(methylamino)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 167310947
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
N-[5-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 166761161
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
N-[5-[[(3R,5S)-1-methyl-5-(prop-2-enoylamino)piperidine-3-carbonyl]amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 170687587
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557540
(3S)-N-[4-[amino-[(Z)-2-amino-2-[6-(1H-pyrazol-5-yl)-2-pyridinyl]ethenyl]amino]phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 174163276
N-[3-[amino-[(Z)-2-amino-2-(1-prop-2-enoylpiperidin-4-yl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 142361941
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 134557557) is N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is CN1CCCC(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)C1.
What is the InChIKey of N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is PPJKLJLMXJUNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-28-12-4-5-15(14-28)21(29)24-16-6-2-7-17(13-16)25-22(30)20-9-3-8-18(26-20)19-10-11-23-27-19/h2-3,6-11,13,15H,4-5,12,14H2,1H3,(H,23,27)(H,24,29)(H,25,30).
What are the key properties of N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134557557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).