N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H20N4O2 — CID 119600719

IUPACN-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCCC3CN)c(=O)n2c1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-14-18-8-12(16(22)20(14)9-10)15(21)19-13-4-2-3-11(13)7-17/h5-6,8-9,11,13H,2-4,7,17H2,1H3,(H,19,21)
InChIKeyBODNPONPAMCJLT-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.86
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 119600719) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID119600719
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCCC3CN)c(=O)n2c1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-14-18-8-12(16(22)20(14)9-10)15(21)19-13-4-2-3-11(13)7-17/h5-6,8-9,11,13H,2-4,7,17H2,1H3,(H,19,21)
InChIKeyBODNPONPAMCJLT-UHFFFAOYSA-N
XLogP0.86
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 119600719) is N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NC3CCCC3CN)c(=O)n2c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BODNPONPAMCJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-5-6-14-18-8-12(16(22)20(14)9-10)15(21)19-13-4-2-3-11(13)7-17/h5-6,8-9,11,13H,2-4,7,17H2,1H3,(H,19,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119600719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).