N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

C18H15BrN4O3 — CID 55829204

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H15BrN4O3/c19-12-3-1-2-10(6-12)9-23(13-4-5-13)17(25)11-7-14-15(20-8-11)21-18(26)22-16(14)24/h1-3,6-8,13H,4-5,9H2,(H2,20,21,22,24,26)
InChIKeySPCYXZDZRZLWJB-UHFFFAOYSA-N
MW415.25 g/mol
LogP2.18
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55829204) has the molecular formula C18H15BrN4O3 and a molecular weight of 415.25 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55829204
Molecular FormulaC18H15BrN4O3
Molecular Weight415.25 g/mol
Exact Mass414.03
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H15BrN4O3/c19-12-3-1-2-10(6-12)9-23(13-4-5-13)17(25)11-7-14-15(20-8-11)21-18(26)22-16(14)24/h1-3,6-8,13H,4-5,9H2,(H2,20,21,22,24,26)
InChIKeySPCYXZDZRZLWJB-UHFFFAOYSA-N
XLogP2.18
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 55829204) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is O=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SPCYXZDZRZLWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3/c19-12-3-1-2-10(6-12)9-23(13-4-5-13)17(25)11-7-14-15(20-8-11)21-18(26)22-16(14)24/h1-3,6-8,13H,4-5,9H2,(H2,20,21,22,24,26).
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 415.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55829204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).