6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

C29H28ClN5O3 — CID 118646006

IUPAC6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C29H28ClN5O3/c1-34-18-24(17-32-34)20-5-3-19(4-6-20)21-11-13-35(14-12-21)29(37)22-7-9-26(38-2)25(15-22)33-28(36)23-8-10-27(30)31-16-23/h3-10,15-18,21H,11-14H2,1-2H3,(H,33,36)
InChIKeyUZZFKGVAEIJCBR-UHFFFAOYSA-N
MW530.03 g/mol
LogP5.42
Rot. Bonds6

About 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 118646006) has the molecular formula C29H28ClN5O3 and a molecular weight of 530.03 g/mol. Its IUPAC name is 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
PubChem CID118646006
Molecular FormulaC29H28ClN5O3
Molecular Weight530.03 g/mol
Exact Mass529.19
IUPAC Name6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C29H28ClN5O3/c1-34-18-24(17-32-34)20-5-3-19(4-6-20)21-11-13-35(14-12-21)29(37)22-7-9-26(38-2)25(15-22)33-28(36)23-8-10-27(30)31-16-23/h3-10,15-18,21H,11-14H2,1-2H3,(H,33,36)
InChIKeyUZZFKGVAEIJCBR-UHFFFAOYSA-N
XLogP5.42
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.03
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(dimethylamino)-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646018
2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
CID 118144211
N-[2-(cyclopropylamino)-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118144241
N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118146975
2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 87727731
1-(2-chloropyrimidin-5-yl)-2-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 159907912
6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118144180
(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 118143965
(3-amino-4-methoxyphenyl)-[3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone
CID 118144169
6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118146951
N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide
CID 118144152
N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
CID 159153204

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (CID 118646006) is 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is COc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The InChIKey is UZZFKGVAEIJCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN5O3/c1-34-18-24(17-32-34)20-5-3-19(4-6-20)21-11-13-35(14-12-21)29(37)22-7-9-26(38-2)25(15-22)33-28(36)23-8-10-27(30)31-16-23/h3-10,15-18,21H,11-14H2,1-2H3,(H,33,36).
What are the key properties of 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 530.03 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118646006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).