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

C14H17ClN6O — CID 95333582

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
SMILESC[C@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H17ClN6O/c1-9(14(22)20-12-4-2-10(15)6-16-12)19-11-3-5-13-17-8-18-21(13)7-11/h2,4,6,8-9,11,19H,3,5,7H2,1H3,(H,16,20,22)/t9-,11-/m0/s1
InChIKeyKJKZFHYQEISTRK-ONGXEEELSA-N
MW320.78 g/mol
LogP1.26
Rot. Bonds4

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

(2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide (PubChem CID 95333582) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
PubChem CID95333582
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
SMILESC[C@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H17ClN6O/c1-9(14(22)20-12-4-2-10(15)6-16-12)19-11-3-5-13-17-8-18-21(13)7-11/h2,4,6,8-9,11,19H,3,5,7H2,1H3,(H,16,20,22)/t9-,11-/m0/s1
InChIKeyKJKZFHYQEISTRK-ONGXEEELSA-N
XLogP1.26
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 95333583
1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769
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
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
N-(5-chloro-2-pyridinyl)-2-[(4-ethylcyclohexyl)amino]propanamide;2,2,2-trifluoroacetic acid
CID 167792719
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 100840996
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propanamide
CID 95607539
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95311791
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95297182
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
2-(azepan-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide
CID 127374124
N-(3-methoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115889496

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide (CID 95333582) is (2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide is C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide?
The InChIKey is KJKZFHYQEISTRK-ONGXEEELSA-N. The full InChI is InChI=1S/C14H17ClN6O/c1-9(14(22)20-12-4-2-10(15)6-16-12)19-11-3-5-13-17-8-18-21(13)7-11/h2,4,6,8-9,11,19H,3,5,7H2,1H3,(H,16,20,22)/t9-,11-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide has a molecular weight of 320.78 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide is sourced from PubChem (CID 95333582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).