N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide

C16H21ClN6O — CID 95607474

IUPACN-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
SMILESCC(C)c1nc2n(n1)C[C@@H](NCC(=O)Nc1ccc(Cl)cn1)CC2
InChIInChI=1S/C16H21ClN6O/c1-10(2)16-21-14-6-4-12(9-23(14)22-16)18-8-15(24)20-13-5-3-11(17)7-19-13/h3,5,7,10,12,18H,4,6,8-9H2,1-2H3,(H,19,20,24)/t12-/m0/s1
InChIKeyUPBNDFLKXAUTKZ-LBPRGKRZSA-N
MW348.84 g/mol
LogP1.99
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide

N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide (PubChem CID 95607474) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
PubChem CID95607474
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
SMILESCC(C)c1nc2n(n1)C[C@@H](NCC(=O)Nc1ccc(Cl)cn1)CC2
InChIInChI=1S/C16H21ClN6O/c1-10(2)16-21-14-6-4-12(9-23(14)22-16)18-8-15(24)20-13-5-3-11(17)7-19-13/h3,5,7,10,12,18H,4,6,8-9H2,1-2H3,(H,19,20,24)/t12-/m0/s1
InChIKeyUPBNDFLKXAUTKZ-LBPRGKRZSA-N
XLogP1.99
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide (CID 95607474) is N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide is CC(C)c1nc2n(n1)C[C@@H](NCC(=O)Nc1ccc(Cl)cn1)CC2.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The InChIKey is UPBNDFLKXAUTKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-10(2)16-21-14-6-4-12(9-23(14)22-16)18-8-15(24)20-13-5-3-11(17)7-19-13/h3,5,7,10,12,18H,4,6,8-9H2,1-2H3,(H,19,20,24)/t12-/m0/s1.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide has a molecular weight of 348.84 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide is sourced from PubChem (CID 95607474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).