N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide

C17H17N5O2 — CID 171138623

IUPACN-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
SMILESCc1ccnc(NC(=O)C(C)Oc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H17N5O2/c1-12-8-9-18-15(10-12)20-16(23)13(2)24-17-19-11-22(21-17)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,18,20,23)
InChIKeySNMMTIKJLCCPHY-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.38
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide

N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide (PubChem CID 171138623) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
PubChem CID171138623
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
SMILESCc1ccnc(NC(=O)C(C)Oc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H17N5O2/c1-12-8-9-18-15(10-12)20-16(23)13(2)24-17-19-11-22(21-17)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,18,20,23)
InChIKeySNMMTIKJLCCPHY-UHFFFAOYSA-N
XLogP2.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138634
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
2-(2-chlorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 46581275
N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138644
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138612
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-pyridin-2-ylpropanamide
CID 100819781
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 7379498
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722
(2S)-2-amino-N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 104897124
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862
2-(3-methylphenoxy)-N-pyridin-2-ylpropanamide
CID 78802552
N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
CID 171139086

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide (CID 171138623) is N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide is Cc1ccnc(NC(=O)C(C)Oc2ncn(-c3ccccc3)n2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The InChIKey is SNMMTIKJLCCPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-8-9-18-15(10-12)20-16(23)13(2)24-17-19-11-22(21-17)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,18,20,23).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide has a molecular weight of 323.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide is sourced from PubChem (CID 171138623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).