4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

C20H20ClF3N6O2 — CID 43854375

IUPAC4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)nc2c1C(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2
InChIInChI=1S/C20H20ClF3N6O2/c21-13-5-4-10(8-12(13)20(22,23)24)26-18(32)11-9-14(31)27-17-15(11)16(25)28-19(29-17)30-6-2-1-3-7-30/h4-5,8,11H,1-3,6-7,9H2,(H,26,32)(H3,25,27,28,29,31)
InChIKeyLSTZOARMSKAJED-UHFFFAOYSA-N
MW468.87 g/mol
LogP3.79
Rot. Bonds3

About 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 43854375) has the molecular formula C20H20ClF3N6O2 and a molecular weight of 468.87 g/mol. Its IUPAC name is 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID43854375
Molecular FormulaC20H20ClF3N6O2
Molecular Weight468.87 g/mol
Exact Mass468.13
IUPAC Name4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)nc2c1C(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2
InChIInChI=1S/C20H20ClF3N6O2/c21-13-5-4-10(8-12(13)20(22,23)24)26-18(32)11-9-14(31)27-17-15(11)16(25)28-19(29-17)30-6-2-1-3-7-30/h4-5,8,11H,1-3,6-7,9H2,(H,26,32)(H3,25,27,28,29,31)
InChIKeyLSTZOARMSKAJED-UHFFFAOYSA-N
XLogP3.79
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.87
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-amino-N-(3-chloro-4-methylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 16653385
(5R)-4-amino-N-(3-chloro-4-methylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29110099
4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 16653386
(5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29110091
4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 43853924
(5R)-N-(4-acetamidophenyl)-4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29110054
(5R)-4-amino-N-(3-fluorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 28504026
(5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29102418
(5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29158723
(5S)-4-amino-N-(2,4-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 42537290
4-amino-N-(2-chloro-4-methylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17036186
4-amino-7-oxo-N-(4-phenoxyphenyl)-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17228936

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 43854375) is 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Nc1nc(N2CCCCC2)nc2c1C(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2.
What is the InChIKey of 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LSTZOARMSKAJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N6O2/c21-13-5-4-10(8-12(13)20(22,23)24)26-18(32)11-9-14(31)27-17-15(11)16(25)28-19(29-17)30-6-2-1-3-7-30/h4-5,8,11H,1-3,6-7,9H2,(H,26,32)(H3,25,27,28,29,31).
What are the key properties of 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 468.87 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 43854375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).