N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

C14H19ClN4O2 — CID 119581850

IUPACN-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccn2c(=O)c(C(=O)N(C)C(C)CN)cnc2c1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-9-4-5-18-12(6-9)16-8-11(14(18)20)13(19)17(3)10(2)7-15;/h4-6,8,10H,7,15H2,1-3H3;1H
InChIKeyVEMPQPKRFQVDGV-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.84
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 119581850) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID119581850
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccn2c(=O)c(C(=O)N(C)C(C)CN)cnc2c1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-9-4-5-18-12(6-9)16-8-11(14(18)20)13(19)17(3)10(2)7-15;/h4-6,8,10H,7,15H2,1-3H3;1H
InChIKeyVEMPQPKRFQVDGV-UHFFFAOYSA-N
XLogP0.84
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 119581850) is N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is Cc1ccn2c(=O)c(C(=O)N(C)C(C)CN)cnc2c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is VEMPQPKRFQVDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-9-4-5-18-12(6-9)16-8-11(14(18)20)13(19)17(3)10(2)7-15;/h4-6,8,10H,7,15H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119581850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).