N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide

C19H13ClFN5O2 — CID 154614418

IUPACN-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
SMILES[C-]#[N+]c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NC(C)=O)c1
InChIInChI=1S/C19H13ClFN5O2/c1-10(27)24-17-8-12(5-6-23-17)25-16-9-14(19(28)26-18(16)22-2)13-7-11(20)3-4-15(13)21/h3-9H,1H3,(H,26,28)(H2,23,24,25,27)
InChIKeyBWAMXIJKGILUMG-UHFFFAOYSA-N
MW397.80 g/mol
LogP4.48
Rot. Bonds4

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

N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide (PubChem CID 154614418) has the molecular formula C19H13ClFN5O2 and a molecular weight of 397.80 g/mol. Its IUPAC name is N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
PubChem CID154614418
Molecular FormulaC19H13ClFN5O2
Molecular Weight397.80 g/mol
Exact Mass397.07
IUPAC NameN-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
SMILES[C-]#[N+]c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NC(C)=O)c1
InChIInChI=1S/C19H13ClFN5O2/c1-10(27)24-17-8-12(5-6-23-17)25-16-9-14(19(28)26-18(16)22-2)13-7-11(20)3-4-15(13)21/h3-9H,1H3,(H,26,28)(H2,23,24,25,27)
InChIKeyBWAMXIJKGILUMG-UHFFFAOYSA-N
XLogP4.48
TPSA91.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.80
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
CID 146296386
3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one
CID 146296469
3-(5-chloro-2-fluorophenyl)-5-[(2-nitro-4-pyridinyl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146296471
3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146299086
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
5-[(3-acetyl-4-pyridinyl)amino]-3-(5-chloro-2-fluorophenyl)-6-(oxetan-3-yl)-1H-pyridin-2-one
CID 153392314
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
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570
3-(5-chloro-2-fluorophenyl)-6-methylsulfanyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one
CID 146299041
4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 153392216

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide (CID 154614418) is N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide is [C-]#[N+]c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NC(C)=O)c1.
What is the InChIKey of N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is BWAMXIJKGILUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O2/c1-10(27)24-17-8-12(5-6-23-17)25-16-9-14(19(28)26-18(16)22-2)13-7-11(20)3-4-15(13)21/h3-9H,1H3,(H,26,28)(H2,23,24,25,27).
What are the key properties of N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide?
N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 397.80 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(5-chloro-2-fluorophenyl)-2-isocyano-6-oxo-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 154614418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).