5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide

C15H17ClN4O — CID 107196471

IUPAC5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide
SMILESCCc1cccnc1CNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C15H17ClN4O/c1-2-9-4-3-5-19-13(9)8-20-14-11(15(18)21)6-10(17)7-12(14)16/h3-7,20H,2,8,17H2,1H3,(H2,18,21)
InChIKeySZCODCPNMCCZMD-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.59
Rot. Bonds5

About 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide

5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide (PubChem CID 107196471) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide
PubChem CID107196471
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide
SMILESCCc1cccnc1CNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C15H17ClN4O/c1-2-9-4-3-5-19-13(9)8-20-14-11(15(18)21)6-10(17)7-12(14)16/h3-7,20H,2,8,17H2,1H3,(H2,18,21)
InChIKeySZCODCPNMCCZMD-UHFFFAOYSA-N
XLogP2.59
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide
CID 82729877
5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide
CID 107194342
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-[(3-ethyl-2-pyridinyl)methylamino]-3-methylbenzoic acid
CID 107112351
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
4-[(3-ethyl-2-pyridinyl)methylamino]-3,5-difluorobenzoic acid
CID 82737243
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide (CID 107196471) is 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide is CCc1cccnc1CNc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide?
The InChIKey is SZCODCPNMCCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-2-9-4-3-5-19-13(9)8-20-14-11(15(18)21)6-10(17)7-12(14)16/h3-7,20H,2,8,17H2,1H3,(H2,18,21).
What are the key properties of 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide?
5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide has a molecular weight of 304.78 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide is sourced from PubChem (CID 107196471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).