N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide

C21H20N6O — CID 138587041

IUPACN-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ncc3ccc(-c4cncc(C#N)c4)cc3n2)CC1
InChIInChI=1S/C21H20N6O/c1-27-6-4-15(5-7-27)20(28)26-21-24-13-17-3-2-16(9-19(17)25-21)18-8-14(10-22)11-23-12-18/h2-3,8-9,11-13,15H,4-7H2,1H3,(H,24,25,26,28)
InChIKeyCTDWQTUXQURCKQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.84
Rot. Bonds3

About N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide

N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 138587041) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
PubChem CID138587041
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ncc3ccc(-c4cncc(C#N)c4)cc3n2)CC1
InChIInChI=1S/C21H20N6O/c1-27-6-4-15(5-7-27)20(28)26-21-24-13-17-3-2-16(9-19(17)25-21)18-8-14(10-22)11-23-12-18/h2-3,8-9,11-13,15H,4-7H2,1H3,(H,24,25,26,28)
InChIKeyCTDWQTUXQURCKQ-UHFFFAOYSA-N
XLogP2.84
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile
CID 147567938
N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138589108
N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide
CID 138587069
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 138587014
N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
CID 138586260
N-methyl-5-[3-[(1-methylpiperidine-4-carbonyl)amino]isoquinolin-6-yl]pyridine-3-carboxamide
CID 138586300
1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
CID 138587588
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590403
1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
CID 138586722
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590461
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide
CID 138588417
(3R)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]piperidine-3-carboxamide
CID 138587848

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide (CID 138587041) is N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2ncc3ccc(-c4cncc(C#N)c4)cc3n2)CC1.
What is the InChIKey of N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is CTDWQTUXQURCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-27-6-4-15(5-7-27)20(28)26-21-24-13-17-3-2-16(9-19(17)25-21)18-8-14(10-22)11-23-12-18/h2-3,8-9,11-13,15H,4-7H2,1H3,(H,24,25,26,28).
What are the key properties of N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide?
N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 138587041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).