N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

C16H23ClN4O2 — CID 119605629

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccc2ncc(C(=O)NC(C)(CN)C(C)C)c(=O)n2c1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-10(2)16(4,9-17)19-14(21)12-7-18-13-6-5-11(3)8-20(13)15(12)22;/h5-8,10H,9,17H2,1-4H3,(H,19,21);1H
InChIKeyMYHRGLOZYVJZFX-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.53
Rot. Bonds4

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

N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 119605629) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID119605629
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccc2ncc(C(=O)NC(C)(CN)C(C)C)c(=O)n2c1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-10(2)16(4,9-17)19-14(21)12-7-18-13-6-5-11(3)8-20(13)15(12)22;/h5-8,10H,9,17H2,1-4H3,(H,19,21);1H
InChIKeyMYHRGLOZYVJZFX-UHFFFAOYSA-N
XLogP1.53
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 119605629) is N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is Cc1ccc2ncc(C(=O)NC(C)(CN)C(C)C)c(=O)n2c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is MYHRGLOZYVJZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-10(2)16(4,9-17)19-14(21)12-7-18-13-6-5-11(3)8-20(13)15(12)22;/h5-8,10H,9,17H2,1-4H3,(H,19,21);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119605629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).