5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile

C22H21N5O — CID 147567938

IUPAC5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile
SMILESCN1CCC(C(=O)Cc2ncc3ccc(-c4cncc(C#N)c4)cc3n2)CC1
InChIInChI=1S/C22H21N5O/c1-27-6-4-16(5-7-27)21(28)10-22-25-14-18-3-2-17(9-20(18)26-22)19-8-15(11-23)12-24-13-19/h2-3,8-9,12-14,16H,4-7,10H2,1H3
InChIKeyFTYFIZNWVRKTJC-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.02
Rot. Bonds4

About 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile

5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile (PubChem CID 147567938) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile
PubChem CID147567938
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile
SMILESCN1CCC(C(=O)Cc2ncc3ccc(-c4cncc(C#N)c4)cc3n2)CC1
InChIInChI=1S/C22H21N5O/c1-27-6-4-16(5-7-27)21(28)10-22-25-14-18-3-2-17(9-20(18)26-22)19-8-15(11-23)12-24-13-19/h2-3,8-9,12-14,16H,4-7,10H2,1H3
InChIKeyFTYFIZNWVRKTJC-UHFFFAOYSA-N
XLogP3.02
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
CID 138587041
1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone
CID 157306288
1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone
CID 149124301
N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138589108
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone
CID 158589955
1-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
CID 146993840
1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone
CID 159820291
1-[4-(3,3-difluoropropyl)cyclohexyl]-2-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]ethanone
CID 160960640
1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone
CID 159849157
5-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]isoquinolin-7-yl]pyridine-3-carbonitrile
CID 25196515
N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
CID 138586260

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile (CID 147567938) is 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile is CN1CCC(C(=O)Cc2ncc3ccc(-c4cncc(C#N)c4)cc3n2)CC1.
What is the InChIKey of 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile?
The InChIKey is FTYFIZNWVRKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-27-6-4-16(5-7-27)21(28)10-22-25-14-18-3-2-17(9-20(18)26-22)19-8-15(11-23)12-24-13-19/h2-3,8-9,12-14,16H,4-7,10H2,1H3.
What are the key properties of 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile?
5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 147567938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).