(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

C15H19ClN6O — CID 95607539

IUPAC(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
SMILESC[C@H](NC[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN6O/c1-10(15(23)20-13-4-3-12(16)7-18-13)17-6-11-2-5-14-21-19-9-22(14)8-11/h3-4,7,9-11,17H,2,5-6,8H2,1H3,(H,18,20,23)/t10-,11-/m0/s1
InChIKeyHSDABZIDLYXBAN-QWRGUYRKSA-N
MW334.81 g/mol
LogP1.51
Rot. Bonds5

About (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

(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 (PubChem CID 95607539) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95607539
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name(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
SMILESC[C@H](NC[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN6O/c1-10(15(23)20-13-4-3-12(16)7-18-13)17-6-11-2-5-14-21-19-9-22(14)8-11/h3-4,7,9-11,17H,2,5-6,8H2,1H3,(H,18,20,23)/t10-,11-/m0/s1
InChIKeyHSDABZIDLYXBAN-QWRGUYRKSA-N
XLogP1.51
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.51
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[4,3-a]pyridin-6-yl]methylamino]propanamide with MolForge

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Related Compounds

(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
(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
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019983
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide
CID 58967481
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
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
N-(5-chloro-2-pyridinyl)-2-[(4-ethylcyclohexyl)amino]propanamide;2,2,2-trifluoroacetic acid
CID 167792719
5-amino-N-(5-chloro-2-pyridinyl)-2-methylpentanamide
CID 104683574
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide
CID 164584610

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[4,3-a]pyridin-6-yl]methylamino]propanamide?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](NC[C@@H]1CCc2nncn2C1)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[4,3-a]pyridin-6-yl]methylamino]propanamide?
The InChIKey is HSDABZIDLYXBAN-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-10(15(23)20-13-4-3-12(16)7-18-13)17-6-11-2-5-14-21-19-9-22(14)8-11/h3-4,7,9-11,17H,2,5-6,8H2,1H3,(H,18,20,23)/t10-,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[4,3-a]pyridin-6-yl]methylamino]propanamide?
(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 has a molecular weight of 334.81 g/mol, XLogP of 1.51, 5 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[4,3-a]pyridin-6-yl]methylamino]propanamide is sourced from PubChem (CID 95607539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).