N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

C15H19N5O3 — CID 119568015

IUPACN-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NC2(CN)CCCC2)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C15H19N5O3/c1-8-6-9(12(21)20-15(7-16)4-2-3-5-15)17-11-10(8)13(22)19-14(23)18-11/h6H,2-5,7,16H2,1H3,(H,20,21)(H2,17,18,19,22,23)
InChIKeyDZGPKDCKNOVPCT-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.08
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 119568015) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID119568015
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NC2(CN)CCCC2)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C15H19N5O3/c1-8-6-9(12(21)20-15(7-16)4-2-3-5-15)17-11-10(8)13(22)19-14(23)18-11/h6H,2-5,7,16H2,1H3,(H,20,21)(H2,17,18,19,22,23)
InChIKeyDZGPKDCKNOVPCT-UHFFFAOYSA-N
XLogP-0.08
TPSA133.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (CID 119568015) is N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cc(C(=O)NC2(CN)CCCC2)nc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is DZGPKDCKNOVPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-8-6-9(12(21)20-15(7-16)4-2-3-5-15)17-11-10(8)13(22)19-14(23)18-11/h6H,2-5,7,16H2,1H3,(H,20,21)(H2,17,18,19,22,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 119568015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).