6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

C25H23ClN6O2 — CID 118144180

IUPAC6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc4nncn4c3)CC2)cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C25H23ClN6O2/c1-16-2-3-18(12-21(16)29-24(33)19-4-6-22(26)27-13-19)25(34)31-10-8-17(9-11-31)20-5-7-23-30-28-15-32(23)14-20/h2-7,12-15,17H,8-11H2,1H3,(H,29,33)
InChIKeyQSQRAVRJTGGAFI-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.36
Rot. Bonds4

About 6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 118144180) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
PubChem CID118144180
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc4nncn4c3)CC2)cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C25H23ClN6O2/c1-16-2-3-18(12-21(16)29-24(33)19-4-6-22(26)27-13-19)25(34)31-10-8-17(9-11-31)20-5-7-23-30-28-15-32(23)14-20/h2-7,12-15,17H,8-11H2,1H3,(H,29,33)
InChIKeyQSQRAVRJTGGAFI-UHFFFAOYSA-N
XLogP4.36
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.36
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-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118146951
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
6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 86672527
5-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 69165329
6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646006
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 89272958
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-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 69188440
N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 25106473
N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118146742
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-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 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) is 6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc4nncn4c3)CC2)cc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The InChIKey is QSQRAVRJTGGAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c1-16-2-3-18(12-21(16)29-24(33)19-4-6-22(26)27-13-19)25(34)31-10-8-17(9-11-31)20-5-7-23-30-28-15-32(23)14-20/h2-7,12-15,17H,8-11H2,1H3,(H,29,33).
What are the key properties of 6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118144180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).