5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

C16H18ClN3O — CID 61114903

IUPAC5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11(2)20(10-12-4-3-7-19-9-12)16(21)14-8-13(18)5-6-15(14)17/h3-9,11H,10,18H2,1-2H3
InChIKeyZGXJSOHYEOXPQZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.37
Rot. Bonds4

About 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 61114903) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID61114903
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11(2)20(10-12-4-3-7-19-9-12)16(21)14-8-13(18)5-6-15(14)17/h3-9,11H,10,18H2,1-2H3
InChIKeyZGXJSOHYEOXPQZ-UHFFFAOYSA-N
XLogP3.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912
2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 60556723
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (CID 61114903) is 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is CC(C)N(Cc1cccnc1)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZGXJSOHYEOXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(2)20(10-12-4-3-7-19-9-12)16(21)14-8-13(18)5-6-15(14)17/h3-9,11H,10,18H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 61114903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).