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

C20H21F3N6O2 — CID 29110091

IUPAC(5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)12-6-2-3-7-13(12)25-18(31)11-10-14(30)26-17-15(11)16(24)27-19(28-17)29-8-4-1-5-9-29/h2-3,6-7,11H,1,4-5,8-10H2,(H,25,31)(H3,24,26,27,28,30)/t11-/m0/s1
InChIKeyOQSATFORUQQTMN-NSHDSACASA-N
MW434.42 g/mol
LogP3.13
Rot. Bonds3

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

(5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 29110091) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is (5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID29110091
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name(5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)12-6-2-3-7-13(12)25-18(31)11-10-14(30)26-17-15(11)16(24)27-19(28-17)29-8-4-1-5-9-29/h2-3,6-7,11H,1,4-5,8-10H2,(H,25,31)(H3,24,26,27,28,30)/t11-/m0/s1
InChIKeyOQSATFORUQQTMN-NSHDSACASA-N
XLogP3.13
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 16653383
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
(5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29102418
4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17228947
(5R)-4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29102337
(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-(2,4-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29102314
4-amino-7-oxo-N-(4-phenoxyphenyl)-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17228936
(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
(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
4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 43854398
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

Frequently Asked Questions

What is the IUPAC name of (5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (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) is (5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2.
What is the InChIKey of (5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is OQSATFORUQQTMN-NSHDSACASA-N. The full InChI is InChI=1S/C20H21F3N6O2/c21-20(22,23)12-6-2-3-7-13(12)25-18(31)11-10-14(30)26-17-15(11)16(24)27-19(28-17)29-8-4-1-5-9-29/h2-3,6-7,11H,1,4-5,8-10H2,(H,25,31)(H3,24,26,27,28,30)/t11-/m0/s1.
What are the key properties of (5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 29110091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).