3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide

C17H16ClN5O — CID 121197902

IUPAC3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C17H16ClN5O/c18-14-4-1-3-13(9-14)6-7-17(24)20-10-15-12-23(22-21-15)16-5-2-8-19-11-16/h1-5,8-9,11-12H,6-7,10H2,(H,20,24)
InChIKeyKQBGEDGLKARGOB-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.56
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide

3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide (PubChem CID 121197902) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
PubChem CID121197902
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C17H16ClN5O/c18-14-4-1-3-13(9-14)6-7-17(24)20-10-15-12-23(22-21-15)16-5-2-8-19-11-16/h1-5,8-9,11-12H,6-7,10H2,(H,20,24)
InChIKeyKQBGEDGLKARGOB-UHFFFAOYSA-N
XLogP2.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
CID 122275740
2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide
CID 121197954
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197982
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 71704556
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide
CID 122160679
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide (CID 121197902) is 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide is O=C(CCc1cccc(Cl)c1)NCc1cn(-c2cccnc2)nn1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide?
The InChIKey is KQBGEDGLKARGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-14-4-1-3-13(9-14)6-7-17(24)20-10-15-12-23(22-21-15)16-5-2-8-19-11-16/h1-5,8-9,11-12H,6-7,10H2,(H,20,24).
What are the key properties of 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide?
3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide has a molecular weight of 341.80 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide is sourced from PubChem (CID 121197902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).