4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

C19H21FN6O3 — CID 43853903

IUPAC4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c(F)c1
InChIInChI=1S/C19H21FN6O3/c1-10-2-3-13(12(20)8-10)22-18(28)11-9-14(27)23-17-15(11)16(21)24-19(25-17)26-4-6-29-7-5-26/h2-3,8,11H,4-7,9H2,1H3,(H,22,28)(H3,21,23,24,25,27)
InChIKeyLMUIMFGHSSUVQA-UHFFFAOYSA-N
MW400.41 g/mol
LogP1.41
Rot. Bonds3

About 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 43853903) has the molecular formula C19H21FN6O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID43853903
Molecular FormulaC19H21FN6O3
Molecular Weight400.41 g/mol
Exact Mass400.17
IUPAC Name4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c(F)c1
InChIInChI=1S/C19H21FN6O3/c1-10-2-3-13(12(20)8-10)22-18(28)11-9-14(27)23-17-15(11)16(21)24-19(25-17)26-4-6-29-7-5-26/h2-3,8,11H,4-7,9H2,1H3,(H,22,28)(H3,21,23,24,25,27)
InChIKeyLMUIMFGHSSUVQA-UHFFFAOYSA-N
XLogP1.41
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 43853903) is 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)c(F)c1.
What is the InChIKey of 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LMUIMFGHSSUVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3/c1-10-2-3-13(12(20)8-10)22-18(28)11-9-14(27)23-17-15(11)16(21)24-19(25-17)26-4-6-29-7-5-26/h2-3,8,11H,4-7,9H2,1H3,(H,22,28)(H3,21,23,24,25,27).
What are the key properties of 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluoro-4-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 43853903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).