N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C17H13Cl2N5O3 — CID 134046812

IUPACN-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNc1c(Cl)cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1Cl
InChIInChI=1S/C17H13Cl2N5O3/c18-11-4-8(5-12(19)13(11)20)22-15(25)7-3-10-14(21-6-7)24(9-1-2-9)17(27)23-16(10)26/h3-6,9H,1-2,20H2,(H,22,25)(H,23,26,27)
InChIKeyHQJAXDOVLHOMDJ-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.56
Rot. Bonds3

About N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 134046812) has the molecular formula C17H13Cl2N5O3 and a molecular weight of 406.23 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID134046812
Molecular FormulaC17H13Cl2N5O3
Molecular Weight406.23 g/mol
Exact Mass405.04
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNc1c(Cl)cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1Cl
InChIInChI=1S/C17H13Cl2N5O3/c18-11-4-8(5-12(19)13(11)20)22-15(25)7-3-10-14(21-6-7)24(9-1-2-9)17(27)23-16(10)26/h3-6,9H,1-2,20H2,(H,22,25)(H,23,26,27)
InChIKeyHQJAXDOVLHOMDJ-UHFFFAOYSA-N
XLogP2.56
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 134046812) is N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Nc1c(Cl)cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HQJAXDOVLHOMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O3/c18-11-4-8(5-12(19)13(11)20)22-15(25)7-3-10-14(21-6-7)24(9-1-2-9)17(27)23-16(10)26/h3-6,9H,1-2,20H2,(H,22,25)(H,23,26,27).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 406.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 134046812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).