N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C23H27N5O3 — CID 78844910

IUPACN-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)Cc3ccccc3N3CCCC3)cnc21
InChIInChI=1S/C23H27N5O3/c1-3-10-28-20-18(21(29)25-23(28)31)13-17(14-24-20)22(30)26(2)15-16-8-4-5-9-19(16)27-11-6-7-12-27/h4-5,8-9,13-14H,3,6-7,10-12,15H2,1-2H3,(H,25,29,31)
InChIKeyJYRVHKISXOIYSV-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.37
Rot. Bonds6

About N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide

N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 78844910) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID78844910
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)Cc3ccccc3N3CCCC3)cnc21
InChIInChI=1S/C23H27N5O3/c1-3-10-28-20-18(21(29)25-23(28)31)13-17(14-24-20)22(30)26(2)15-16-8-4-5-9-19(16)27-11-6-7-12-27/h4-5,8-9,13-14H,3,6-7,10-12,15H2,1-2H3,(H,25,29,31)
InChIKeyJYRVHKISXOIYSV-UHFFFAOYSA-N
XLogP2.37
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 78844910) is N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)Cc3ccccc3N3CCCC3)cnc21.
What is the InChIKey of N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JYRVHKISXOIYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-3-10-28-20-18(21(29)25-23(28)31)13-17(14-24-20)22(30)26(2)15-16-8-4-5-9-19(16)27-11-6-7-12-27/h4-5,8-9,13-14H,3,6-7,10-12,15H2,1-2H3,(H,25,29,31).
What are the key properties of N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 78844910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).