N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide

C19H20ClN5O2 — CID 53203030

IUPACN-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nnc4ccccn34)CC2)cc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-27-16-6-5-14(12-15(16)20)21-18(26)13-7-10-24(11-8-13)19-23-22-17-4-2-3-9-25(17)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,26)
InChIKeyRIQPGWQTLYCXDY-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.25
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide (PubChem CID 53203030) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
PubChem CID53203030
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nnc4ccccn34)CC2)cc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-27-16-6-5-14(12-15(16)20)21-18(26)13-7-10-24(11-8-13)19-23-22-17-4-2-3-9-25(17)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,26)
InChIKeyRIQPGWQTLYCXDY-UHFFFAOYSA-N
XLogP3.25
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide (CID 53203030) is N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3nnc4ccccn34)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The InChIKey is RIQPGWQTLYCXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-27-16-6-5-14(12-15(16)20)21-18(26)13-7-10-24(11-8-13)19-23-22-17-4-2-3-9-25(17)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53203030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).