4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide

C19H12ClFN6O — CID 11524054

IUPAC4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C19H12ClFN6O/c20-10-3-4-14(21)12(8-10)19-26-17-11(2-1-6-24-17)18(27-19)25-15-5-7-23-9-13(15)16(22)28/h1-9H,(H2,22,28)(H,23,24,25,26,27)
InChIKeyVYPXVWOUDIEQDG-UHFFFAOYSA-N
MW394.80 g/mol
LogP3.72
Rot. Bonds4

About 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 11524054) has the molecular formula C19H12ClFN6O and a molecular weight of 394.80 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID11524054
Molecular FormulaC19H12ClFN6O
Molecular Weight394.80 g/mol
Exact Mass394.07
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C19H12ClFN6O/c20-10-3-4-14(21)12(8-10)19-26-17-11(2-1-6-24-17)18(27-19)25-15-5-7-23-9-13(15)16(22)28/h1-9H,(H2,22,28)(H,23,24,25,26,27)
InChIKeyVYPXVWOUDIEQDG-UHFFFAOYSA-N
XLogP3.72
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide (CID 11524054) is 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide is NC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is VYPXVWOUDIEQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN6O/c20-10-3-4-14(21)12(8-10)19-26-17-11(2-1-6-24-17)18(27-19)25-15-5-7-23-9-13(15)16(22)28/h1-9H,(H2,22,28)(H,23,24,25,26,27).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 394.80 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 11524054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).