N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide

C14H14ClN3O — CID 103094902

IUPACN-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)Nc2ncccc2Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-2-16-11-7-5-10(6-8-11)14(19)18-13-12(15)4-3-9-17-13/h3-9,16H,2H2,1H3,(H,17,18,19)
InChIKeyCXPGVQHCMZXUKL-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.42
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide

N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide (PubChem CID 103094902) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide
PubChem CID103094902
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)Nc2ncccc2Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-2-16-11-7-5-10(6-8-11)14(19)18-13-12(15)4-3-9-17-13/h3-9,16H,2H2,1H3,(H,17,18,19)
InChIKeyCXPGVQHCMZXUKL-UHFFFAOYSA-N
XLogP3.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(ethylamino)benzamide
CID 103094805
N-(2-chlorophenyl)-4-(ethylamino)benzamide
CID 62167613
N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103094868
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 103094851
N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103943564
2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
CID 103094848
5-acetamido-2-chloro-N-(3-chloro-2-pyridinyl)benzamide
CID 86783432
3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide
CID 103094075
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
N-(3-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377262
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide (CID 103094902) is N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide is CCNc1ccc(C(=O)Nc2ncccc2Cl)cc1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide?
The InChIKey is CXPGVQHCMZXUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-2-16-11-7-5-10(6-8-11)14(19)18-13-12(15)4-3-9-17-13/h3-9,16H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide?
N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide is sourced from PubChem (CID 103094902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).