N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

C16H21ClN4O2 — CID 119565341

IUPACN-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccn2c(=O)c(C(=O)NC3(CN)CCCC3)cnc2c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-11-4-7-20-13(8-11)18-9-12(15(20)22)14(21)19-16(10-17)5-2-3-6-16;/h4,7-9H,2-3,5-6,10,17H2,1H3,(H,19,21);1H
InChIKeyKVBDGWACLQXLPW-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.43
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 119565341) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID119565341
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccn2c(=O)c(C(=O)NC3(CN)CCCC3)cnc2c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-11-4-7-20-13(8-11)18-9-12(15(20)22)14(21)19-16(10-17)5-2-3-6-16;/h4,7-9H,2-3,5-6,10,17H2,1H3,(H,19,21);1H
InChIKeyKVBDGWACLQXLPW-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]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 119565341) is N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is Cc1ccn2c(=O)c(C(=O)NC3(CN)CCCC3)cnc2c1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is KVBDGWACLQXLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-11-4-7-20-13(8-11)18-9-12(15(20)22)14(21)19-16(10-17)5-2-3-6-16;/h4,7-9H,2-3,5-6,10,17H2,1H3,(H,19,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-8-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]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119565341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).