(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

C18H23N5O2 — CID 100840996

IUPAC(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
SMILESC[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C18H23N5O2/c1-12(21-13-6-7-17-19-11-20-23(17)10-13)18(24)22-15-8-9-25-16-5-3-2-4-14(15)16/h2-5,11-13,15,21H,6-10H2,1H3,(H,22,24)/t12-,13-,15+/m0/s1
InChIKeyAOSKQSQGUWJLJF-KCQAQPDRSA-N
MW341.42 g/mol
LogP1.21
Rot. Bonds4

About (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

(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 (PubChem CID 100840996) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID100840996
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(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
SMILESC[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C18H23N5O2/c1-12(21-13-6-7-17-19-11-20-23(17)10-13)18(24)22-15-8-9-25-16-5-3-2-4-14(15)16/h2-5,11-13,15,21H,6-10H2,1H3,(H,22,24)/t12-,13-,15+/m0/s1
InChIKeyAOSKQSQGUWJLJF-KCQAQPDRSA-N
XLogP1.21
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
tert-butyl (2R,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate
CID 124881493
tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate
CID 124881497
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95344349
(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
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide
CID 129461179
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32718919

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of (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?
The InChIKey is AOSKQSQGUWJLJF-KCQAQPDRSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(21-13-6-7-17-19-11-20-23(17)10-13)18(24)22-15-8-9-25-16-5-3-2-4-14(15)16/h2-5,11-13,15,21H,6-10H2,1H3,(H,22,24)/t12-,13-,15+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 341.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 100840996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).