3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile

C21H15N5 — CID 3235560

IUPAC3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1
InChIInChI=1S/C21H15N5/c22-11-15-3-1-5-17(9-15)18-6-7-20-19(10-18)21(26-14-25-20)24-13-16-4-2-8-23-12-16/h1-10,12,14H,13H2,(H,24,25,26)
InChIKeyWBQXGLDSAYTTFT-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.18
Rot. Bonds4

About 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile

3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile (PubChem CID 3235560) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
PubChem CID3235560
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1
InChIInChI=1S/C21H15N5/c22-11-15-3-1-5-17(9-15)18-6-7-20-19(10-18)21(26-14-25-20)24-13-16-4-2-8-23-12-16/h1-10,12,14H,13H2,(H,24,25,26)
InChIKeyWBQXGLDSAYTTFT-UHFFFAOYSA-N
XLogP4.18
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59716374
CID 59716374
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 102078238
4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate
CID 6984765
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
CID 71538885
N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68948207
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine
CID 3233864
4-[[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112860865
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065
3-[[6-phenyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112937338

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile?
The IUPAC name of 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile (CID 3235560) is 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile.
What is the SMILES notation for 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile?
The canonical SMILES for 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile is N#Cc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1.
What is the InChIKey of 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile?
The InChIKey is WBQXGLDSAYTTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5/c22-11-15-3-1-5-17(9-15)18-6-7-20-19(10-18)21(26-14-25-20)24-13-16-4-2-8-23-12-16/h1-10,12,14H,13H2,(H,24,25,26).
What are the key properties of 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile?
3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile has a molecular weight of 337.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile is sourced from PubChem (CID 3235560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).