(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C14H20N6O — CID 124750666

IUPAC(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cccnc1NCCNC(=O)[C@@H](C)Cn1cncn1
InChIInChI=1S/C14H20N6O/c1-11-4-3-5-16-13(11)17-6-7-18-14(21)12(2)8-20-10-15-9-19-20/h3-5,9-10,12H,6-8H2,1-2H3,(H,16,17)(H,18,21)/t12-/m0/s1
InChIKeyDRASBBQHPPIUGE-LBPRGKRZSA-N
MW288.36 g/mol
LogP0.85
Rot. Bonds7

About (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide

(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 124750666) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID124750666
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cccnc1NCCNC(=O)[C@@H](C)Cn1cncn1
InChIInChI=1S/C14H20N6O/c1-11-4-3-5-16-13(11)17-6-7-18-14(21)12(2)8-20-10-15-9-19-20/h3-5,9-10,12H,6-8H2,1-2H3,(H,16,17)(H,18,21)/t12-/m0/s1
InChIKeyDRASBBQHPPIUGE-LBPRGKRZSA-N
XLogP0.85
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 95223644
(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124756628
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91796955
(2S)-2-methyl-N-[(2R)-2-(4-methylphenoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 92557955
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131926945
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131921625
2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 118771504
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
CID 91784355
(2R)-2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125166639
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 124750666) is (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1cccnc1NCCNC(=O)[C@@H](C)Cn1cncn1.
What is the InChIKey of (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DRASBBQHPPIUGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11-4-3-5-16-13(11)17-6-7-18-14(21)12(2)8-20-10-15-9-19-20/h3-5,9-10,12H,6-8H2,1-2H3,(H,16,17)(H,18,21)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 288.36 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 124750666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).