1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide

C22H19N5O2 — CID 94063227

IUPAC1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cccc2ccccc12)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C22H19N5O2/c1-14(24-22(29)19-8-4-6-16-5-2-3-7-18(16)19)15-9-11-17(12-10-15)27-13-20(21(23)28)25-26-27/h2-14H,1H3,(H2,23,28)(H,24,29)/t14-/m0/s1
InChIKeyYFCQGOZEDUIKNP-AWEZNQCLSA-N
MW385.43 g/mol
LogP3.01
Rot. Bonds5

About 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide

1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide (PubChem CID 94063227) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide
PubChem CID94063227
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cccc2ccccc12)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C22H19N5O2/c1-14(24-22(29)19-8-4-6-16-5-2-3-7-18(16)19)15-9-11-17(12-10-15)27-13-20(21(23)28)25-26-27/h2-14H,1H3,(H2,23,28)(H,24,29)/t14-/m0/s1
InChIKeyYFCQGOZEDUIKNP-AWEZNQCLSA-N
XLogP3.01
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide
CID 94802267
1-[4-[(1R)-1-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]ethyl]phenyl]triazole-4-carboxamide
CID 94805716
1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide
CID 56829402
1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
CID 112708395
1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide
CID 94032802
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
1-[4-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]ethyl]phenyl]triazole-4-carboxamide
CID 166423135
1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide
CID 167963225
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43067824
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid
CID 43360787

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide (CID 94063227) is 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide is C[C@H](NC(=O)c1cccc2ccccc12)c1ccc(-n2cc(C(N)=O)nn2)cc1.
What is the InChIKey of 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide?
The InChIKey is YFCQGOZEDUIKNP-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14(24-22(29)19-8-4-6-16-5-2-3-7-18(16)19)15-9-11-17(12-10-15)27-13-20(21(23)28)25-26-27/h2-14H,1H3,(H2,23,28)(H,24,29)/t14-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide?
1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 94063227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).