N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C17H12ClN5O3 — CID 55580012

IUPACN-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)nc2n(C)c1=O
InChIInChI=1S/C17H12ClN5O3/c1-22-14-11(16(25)23(2)17(22)26)4-6-13(21-14)15(24)20-10-3-5-12(18)9(7-10)8-19/h3-7H,1-2H3,(H,20,24)
InChIKeyHPEIYPBCKKNMPX-UHFFFAOYSA-N
MW369.77 g/mol
LogP1.41
Rot. Bonds2

About N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55580012) has the molecular formula C17H12ClN5O3 and a molecular weight of 369.77 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55580012
Molecular FormulaC17H12ClN5O3
Molecular Weight369.77 g/mol
Exact Mass369.06
IUPAC NameN-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)nc2n(C)c1=O
InChIInChI=1S/C17H12ClN5O3/c1-22-14-11(16(25)23(2)17(22)26)4-6-13(21-14)15(24)20-10-3-5-12(18)9(7-10)8-19/h3-7H,1-2H3,(H,20,24)
InChIKeyHPEIYPBCKKNMPX-UHFFFAOYSA-N
XLogP1.41
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 55580012) is N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)nc2n(C)c1=O.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is HPEIYPBCKKNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O3/c1-22-14-11(16(25)23(2)17(22)26)4-6-13(21-14)15(24)20-10-3-5-12(18)9(7-10)8-19/h3-7H,1-2H3,(H,20,24).
What are the key properties of N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 369.77 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55580012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).