3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

C27H25ClN4O3 — CID 17251417

IUPAC3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3cccc(Cl)c3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C27H25ClN4O3/c1-18-15-22(25(33)30-13-6-3-7-14-30)23-24(29-18)32(21-11-4-2-5-12-21)27(35)31(26(23)34)17-19-9-8-10-20(28)16-19/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3
InChIKeyREJUIZDQTCTJEP-UHFFFAOYSA-N
MW488.98 g/mol
LogP4.18
Rot. Bonds4

About 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17251417) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17251417
Molecular FormulaC27H25ClN4O3
Molecular Weight488.98 g/mol
Exact Mass488.16
IUPAC Name3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3cccc(Cl)c3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C27H25ClN4O3/c1-18-15-22(25(33)30-13-6-3-7-14-30)23-24(29-18)32(21-11-4-2-5-12-21)27(35)31(26(23)34)17-19-9-8-10-20(28)16-19/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3
InChIKeyREJUIZDQTCTJEP-UHFFFAOYSA-N
XLogP4.18
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-3-[(4-methylphenyl)methyl]-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251423
3-[(3-methoxyphenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 53096930
3-(2,1,3-benzoxadiazol-5-ylmethyl)-7-methyl-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251342
N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096954
3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 53096944
N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17251348
N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096937
7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 21198168
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraen-6-yl)methanone
CID 36716903
azepan-1-yl-(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 20927958
3-[(3-cyanophenyl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 53096967
methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250728

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 17251417) is 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3cccc(Cl)c3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is REJUIZDQTCTJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c1-18-15-22(25(33)30-13-6-3-7-14-30)23-24(29-18)32(21-11-4-2-5-12-21)27(35)31(26(23)34)17-19-9-8-10-20(28)16-19/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 488.98 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17251417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).