N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C19H20N6O2 — CID 60509170

IUPACN-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)CCc2ccncc2)cc1)n1cncn1
InChIInChI=1S/C19H20N6O2/c1-14(25-13-21-12-22-25)19(27)24-17-5-3-16(4-6-17)23-18(26)7-2-15-8-10-20-11-9-15/h3-6,8-14H,2,7H2,1H3,(H,23,26)(H,24,27)
InChIKeyFLAGZOCQYXORHZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.44
Rot. Bonds7

About N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 60509170) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID60509170
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)CCc2ccncc2)cc1)n1cncn1
InChIInChI=1S/C19H20N6O2/c1-14(25-13-21-12-22-25)19(27)24-17-5-3-16(4-6-17)23-18(26)7-2-15-8-10-20-11-9-15/h3-6,8-14H,2,7H2,1H3,(H,23,26)(H,24,27)
InChIKeyFLAGZOCQYXORHZ-UHFFFAOYSA-N
XLogP2.44
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(4-chlorophenyl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42959524
N-[4-[3-(furan-2-yl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43071004
4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 42957346
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
(2R)-N-[4-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51948969
3-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 115339337
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
N-[4-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55653197
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
2-amino-3-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide;dihydrochloride
CID 119848887
N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341
N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide
CID 46999025

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 60509170) is N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(NC(=O)CCc2ccncc2)cc1)n1cncn1.
What is the InChIKey of N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FLAGZOCQYXORHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-14(25-13-21-12-22-25)19(27)24-17-5-3-16(4-6-17)23-18(26)7-2-15-8-10-20-11-9-15/h3-6,8-14H,2,7H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 364.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 60509170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).