7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C18H18ClN5O3 — CID 23476487

IUPAC7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Cl)cc2)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H18ClN5O3/c1-9-12(16(25)21-8-10-4-6-11(19)7-5-10)14(20)22-15-13(9)17(26)24(3)18(27)23(15)2/h4-7H,8H2,1-3H3,(H2,20,22)(H,21,25)
InChIKeyQQGKVPKPOQRVKU-UHFFFAOYSA-N
MW387.83 g/mol
LogP1.11
Rot. Bonds3

About 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23476487) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID23476487
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC Name7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Cl)cc2)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H18ClN5O3/c1-9-12(16(25)21-8-10-4-6-11(19)7-5-10)14(20)22-15-13(9)17(26)24(3)18(27)23(15)2/h4-7H,8H2,1-3H3,(H2,20,22)(H,21,25)
InChIKeyQQGKVPKPOQRVKU-UHFFFAOYSA-N
XLogP1.11
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 23476487) is 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2ccc(Cl)cc2)c(N)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QQGKVPKPOQRVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-9-12(16(25)21-8-10-4-6-11(19)7-5-10)14(20)22-15-13(9)17(26)24(3)18(27)23(15)2/h4-7H,8H2,1-3H3,(H2,20,22)(H,21,25).
What are the key properties of 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 387.83 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23476487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).