N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide

C21H21ClN4O2 — CID 146296386

IUPACN-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(-c3cccc(Cl)c3)c(=O)[nH]c2C(C)C)ccn1
InChIInChI=1S/C21H21ClN4O2/c1-12(2)20-18(25-16-7-8-23-19(10-16)24-13(3)27)11-17(21(28)26-20)14-5-4-6-15(22)9-14/h4-12H,1-3H3,(H,26,28)(H2,23,24,25,27)
InChIKeyLKRPGTXJTCWSCW-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.92
Rot. Bonds5

About N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide

N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide (PubChem CID 146296386) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
PubChem CID146296386
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(-c3cccc(Cl)c3)c(=O)[nH]c2C(C)C)ccn1
InChIInChI=1S/C21H21ClN4O2/c1-12(2)20-18(25-16-7-8-23-19(10-16)24-13(3)27)11-17(21(28)26-20)14-5-4-6-15(22)9-14/h4-12H,1-3H3,(H,26,28)(H2,23,24,25,27)
InChIKeyLKRPGTXJTCWSCW-UHFFFAOYSA-N
XLogP4.92
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]-4,4,4-trifluorobutanamide
CID 146296482
N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide
CID 146296491
N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
CID 154614418
5-amino-3-(3-chlorophenyl)-6-propan-2-yl-1H-pyridin-2-one
CID 146296512
3-(5-chloro-2-fluorophenyl)-5-[(2-nitro-4-pyridinyl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146296471
N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide
CID 99647046
5-(3-chlorophenyl)-3-propan-2-yl-1H-pyridazin-6-one
CID 132587737
4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-5,7-dihydrocyclopenta[b]pyridin-6-one
CID 162007063
5-[(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)amino]-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
CID 146299094
4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 146299053
5-(3-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260709
2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 68830076

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide (CID 146296386) is N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(-c3cccc(Cl)c3)c(=O)[nH]c2C(C)C)ccn1.
What is the InChIKey of N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is LKRPGTXJTCWSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-12(2)20-18(25-16-7-8-23-19(10-16)24-13(3)27)11-17(21(28)26-20)14-5-4-6-15(22)9-14/h4-12H,1-3H3,(H,26,28)(H2,23,24,25,27).
What are the key properties of N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide?
N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 396.88 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 146296386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).