N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide

C16H20ClN5O — CID 127312072

IUPACN-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide
SMILESCc1nc2n(n1)CC(NC(C)C(=O)Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C16H20ClN5O/c1-10(16(23)20-13-5-3-12(17)4-6-13)18-14-7-8-15-19-11(2)21-22(15)9-14/h3-6,10,14,18H,7-9H2,1-2H3,(H,20,23)
InChIKeySECDAANXJDTIMQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.17
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide

N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide (PubChem CID 127312072) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide
PubChem CID127312072
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide
SMILESCc1nc2n(n1)CC(NC(C)C(=O)Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C16H20ClN5O/c1-10(16(23)20-13-5-3-12(17)4-6-13)18-14-7-8-15-19-11(2)21-22(15)9-14/h3-6,10,14,18H,7-9H2,1-2H3,(H,20,23)
InChIKeySECDAANXJDTIMQ-UHFFFAOYSA-N
XLogP2.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide (CID 127312072) is N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide is Cc1nc2n(n1)CC(NC(C)C(=O)Nc1ccc(Cl)cc1)CC2.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide?
The InChIKey is SECDAANXJDTIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-10(16(23)20-13-5-3-12(17)4-6-13)18-14-7-8-15-19-11(2)21-22(15)9-14/h3-6,10,14,18H,7-9H2,1-2H3,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide?
N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide has a molecular weight of 333.82 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide is sourced from PubChem (CID 127312072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).