3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile

C21H19N5O — CID 167763875

IUPAC3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccncc1O[C@H]1CCN(c2nc(C3CC3)nc3ccccc23)C1
InChIInChI=1S/C21H19N5O/c22-11-15-7-9-23-12-19(15)27-16-8-10-26(13-16)21-17-3-1-2-4-18(17)24-20(25-21)14-5-6-14/h1-4,7,9,12,14,16H,5-6,8,10,13H2/t16-/m0/s1
InChIKeyBDSYQOVHSKBYLJ-INIZCTEOSA-N
MW357.42 g/mol
LogP3.43
Rot. Bonds4

About 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile

3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 167763875) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID167763875
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccncc1O[C@H]1CCN(c2nc(C3CC3)nc3ccccc23)C1
InChIInChI=1S/C21H19N5O/c22-11-15-7-9-23-12-19(15)27-16-8-10-26(13-16)21-17-3-1-2-4-18(17)24-20(25-21)14-5-6-14/h1-4,7,9,12,14,16H,5-6,8,10,13H2/t16-/m0/s1
InChIKeyBDSYQOVHSKBYLJ-INIZCTEOSA-N
XLogP3.43
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile (CID 167763875) is 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccncc1O[C@H]1CCN(c2nc(C3CC3)nc3ccccc23)C1.
What is the InChIKey of 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is BDSYQOVHSKBYLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19N5O/c22-11-15-7-9-23-12-19(15)27-16-8-10-26(13-16)21-17-3-1-2-4-18(17)24-20(25-21)14-5-6-14/h1-4,7,9,12,14,16H,5-6,8,10,13H2/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile?
3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 357.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 167763875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).