4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride

C21H25Cl2N5O2 — CID 172911634

IUPAC4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)Nc1cccc2ncncc12.Cl.Cl
InChIInChI=1S/C21H23N5O2.2ClH/c1-14-7-9-26(12-15-4-3-8-22-10-15)21(28)19(14)20(27)25-18-6-2-5-17-16(18)11-23-13-24-17;;/h2,5-7,9,11,13,15,22H,3-4,8,10,12H2,1H3,(H,25,27);2*1H
InChIKeyVITANYIJVXIJHY-UHFFFAOYSA-N
MW450.37 g/mol
LogP3.20
Rot. Bonds4

About 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride

4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 172911634) has the molecular formula C21H25Cl2N5O2 and a molecular weight of 450.37 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID172911634
Molecular FormulaC21H25Cl2N5O2
Molecular Weight450.37 g/mol
Exact Mass449.14
IUPAC Name4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)Nc1cccc2ncncc12.Cl.Cl
InChIInChI=1S/C21H23N5O2.2ClH/c1-14-7-9-26(12-15-4-3-8-22-10-15)21(28)19(14)20(27)25-18-6-2-5-17-16(18)11-23-13-24-17;;/h2,5-7,9,11,13,15,22H,3-4,8,10,12H2,1H3,(H,25,27);2*1H
InChIKeyVITANYIJVXIJHY-UHFFFAOYSA-N
XLogP3.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172668125
N-(2,4-dimethoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913023
N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666747
acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172910090
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172657245
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 172673540
4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664558
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667879
N-(4-fluoro-3-methoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172660585

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride (CID 172911634) is 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)Nc1cccc2ncncc12.Cl.Cl.
What is the InChIKey of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is VITANYIJVXIJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.2ClH/c1-14-7-9-26(12-15-4-3-8-22-10-15)21(28)19(14)20(27)25-18-6-2-5-17-16(18)11-23-13-24-17;;/h2,5-7,9,11,13,15,22H,3-4,8,10,12H2,1H3,(H,25,27);2*1H.
What are the key properties of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride?
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 450.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-quinazolin-5-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172911634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).