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

C16H21ClN4O2 — CID 119564975

IUPACN-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccc2ncc(C(=O)NC3(CN)CCCC3)c(=O)n2c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-11-4-5-13-18-8-12(15(22)20(13)9-11)14(21)19-16(10-17)6-2-3-7-16;/h4-5,8-9H,2-3,6-7,10,17H2,1H3,(H,19,21);1H
InChIKeyZPGOASZGQYQUKN-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.43
Rot. Bonds3

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

N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 119564975) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID119564975
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccc2ncc(C(=O)NC3(CN)CCCC3)c(=O)n2c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-11-4-5-13-18-8-12(15(22)20(13)9-11)14(21)19-16(10-17)6-2-3-7-16;/h4-5,8-9H,2-3,6-7,10,17H2,1H3,(H,19,21);1H
InChIKeyZPGOASZGQYQUKN-UHFFFAOYSA-N
XLogP1.43
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 119564975) is N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is Cc1ccc2ncc(C(=O)NC3(CN)CCCC3)c(=O)n2c1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is ZPGOASZGQYQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-11-4-5-13-18-8-12(15(22)20(13)9-11)14(21)19-16(10-17)6-2-3-7-16;/h4-5,8-9H,2-3,6-7,10,17H2,1H3,(H,19,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119564975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).