(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

C14H19N5O2 — CID 94171586

IUPAC(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)Oc1ncccc1CNC(=O)[C@@H](C)n1cncn1
InChIInChI=1S/C14H19N5O2/c1-10(2)21-14-12(5-4-6-16-14)7-17-13(20)11(3)19-9-15-8-18-19/h4-6,8-11H,7H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyHYDKSZBROXXOCN-LLVKDONJSA-N
MW289.34 g/mol
LogP1.34
Rot. Bonds6

About (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94171586) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID94171586
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)Oc1ncccc1CNC(=O)[C@@H](C)n1cncn1
InChIInChI=1S/C14H19N5O2/c1-10(2)21-14-12(5-4-6-16-14)7-17-13(20)11(3)19-9-15-8-18-19/h4-6,8-11H,7H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyHYDKSZBROXXOCN-LLVKDONJSA-N
XLogP1.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

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Related Compounds

(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37247400
(2S)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 26413168
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
(2S)-N-[(2-phenoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94810471
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
N,N-diethyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetamide
CID 61374984
3-amino-2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 115426650

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 94171586) is (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C)Oc1ncccc1CNC(=O)[C@@H](C)n1cncn1.
What is the InChIKey of (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is HYDKSZBROXXOCN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(2)21-14-12(5-4-6-16-14)7-17-13(20)11(3)19-9-15-8-18-19/h4-6,8-11H,7H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94171586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).