4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide

C19H21ClN4O3 — CID 9378628

IUPAC4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C19H21ClN4O3/c1-3-13-6-4-5-7-15(13)23-17(25)12-24(2)18(26)11-22-19(27)16-10-14(20)8-9-21-16/h4-10H,3,11-12H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyHTTFMZMQUFKOEI-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.12
Rot. Bonds7

About 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 9378628) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID9378628
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C19H21ClN4O3/c1-3-13-6-4-5-7-15(13)23-17(25)12-24(2)18(26)11-22-19(27)16-10-14(20)8-9-21-16/h4-10H,3,11-12H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyHTTFMZMQUFKOEI-UHFFFAOYSA-N
XLogP2.12
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9463211
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2536523
2-[[2-(3,4-dichlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2521635
2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55388630
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
N-[2-(2-ethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 27762226
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209
4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9469935
4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 47166032

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide (CID 9378628) is 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is HTTFMZMQUFKOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-3-13-6-4-5-7-15(13)23-17(25)12-24(2)18(26)11-22-19(27)16-10-14(20)8-9-21-16/h4-10H,3,11-12H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9378628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).