5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide

C15H15ClFN3O — CID 114922724

IUPAC5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)c2ccc(F)cc2)c(Cl)cn1
InChIInChI=1S/C15H15ClFN3O/c1-3-18-14-8-12(13(16)9-19-14)15(21)20(2)11-6-4-10(17)5-7-11/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyIXDSCUBDNXTCGI-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.58
Rot. Bonds4

About 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide (PubChem CID 114922724) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
PubChem CID114922724
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)c2ccc(F)cc2)c(Cl)cn1
InChIInChI=1S/C15H15ClFN3O/c1-3-18-14-8-12(13(16)9-19-14)15(21)20(2)11-6-4-10(17)5-7-11/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyIXDSCUBDNXTCGI-UHFFFAOYSA-N
XLogP3.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114922855
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827
5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114923600
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114922085
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
5-chloro-N-cyclopentyl-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114922154
3-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 105069144
5-chloro-2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 114922169
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922532
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62175245

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide (CID 114922724) is 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide is CCNc1cc(C(=O)N(C)c2ccc(F)cc2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The InChIKey is IXDSCUBDNXTCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-3-18-14-8-12(13(16)9-19-14)15(21)20(2)11-6-4-10(17)5-7-11/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 114922724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).