(2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide

C19H25N5O — CID 97021677

IUPAC(2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide
SMILESC[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1nnc2n1CCCC2
InChIInChI=1S/C19H25N5O/c1-13(18-23-22-16-9-5-6-12-24(16)18)20-17(14-7-3-2-4-8-14)19(25)21-15-10-11-15/h2-4,7-8,13,15,17,20H,5-6,9-12H2,1H3,(H,21,25)/t13-,17+/m1/s1
InChIKeyKUPNXTNDQGEMAH-DYVFJYSZSA-N
MW339.44 g/mol
LogP2.28
Rot. Bonds6

About (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide

(2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide (PubChem CID 97021677) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide
PubChem CID97021677
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide
SMILESC[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1nnc2n1CCCC2
InChIInChI=1S/C19H25N5O/c1-13(18-23-22-16-9-5-6-12-24(16)18)20-17(14-7-3-2-4-8-14)19(25)21-15-10-11-15/h2-4,7-8,13,15,17,20H,5-6,9-12H2,1H3,(H,21,25)/t13-,17+/m1/s1
InChIKeyKUPNXTNDQGEMAH-DYVFJYSZSA-N
XLogP2.28
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide
CID 75457143
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-phenylethanamine
CID 43748158
methyl (2S)-2-(2-fluorophenyl)-2-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetate
CID 124607654
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
CID 60715577
2-(2-chlorophenyl)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 37172997
1-cyclopentyl-3-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]urea
CID 97211815
(1R)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94069827
(1S)-N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94069828
phenyl(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanamine;2,2,2-trifluoroacetic acid
CID 167840757
N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyridine-2-carboxamide
CID 95130586
(2R)-N-[(4-fluorophenyl)methyl]-2-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide
CID 97089766

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide (CID 97021677) is (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide is C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1nnc2n1CCCC2.
What is the InChIKey of (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide?
The InChIKey is KUPNXTNDQGEMAH-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(18-23-22-16-9-5-6-12-24(16)18)20-17(14-7-3-2-4-8-14)19(25)21-15-10-11-15/h2-4,7-8,13,15,17,20H,5-6,9-12H2,1H3,(H,21,25)/t13-,17+/m1/s1.
What are the key properties of (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide?
(2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide is sourced from PubChem (CID 97021677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).