(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide

C18H17N5O — CID 94434184

IUPAC(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)C1
InChIInChI=1S/C18H17N5O/c19-16(24)13-7-10-23(11-13)18-14-3-1-2-4-15(14)21-17(22-18)12-5-8-20-9-6-12/h1-6,8-9,13H,7,10-11H2,(H2,19,24)/t13-/m0/s1
InChIKeyWOTRHUNRDGESSV-ZDUSSCGKSA-N
MW319.37 g/mol
LogP2.00
Rot. Bonds3

About (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide

(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 94434184) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
PubChem CID94434184
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)C1
InChIInChI=1S/C18H17N5O/c19-16(24)13-7-10-23(11-13)18-14-3-1-2-4-15(14)21-17(22-18)12-5-8-20-9-6-12/h1-6,8-9,13H,7,10-11H2,(H2,19,24)/t13-/m0/s1
InChIKeyWOTRHUNRDGESSV-ZDUSSCGKSA-N
XLogP2.00
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide (CID 94434184) is (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)C1.
What is the InChIKey of (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is WOTRHUNRDGESSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N5O/c19-16(24)13-7-10-23(11-13)18-14-3-1-2-4-15(14)21-17(22-18)12-5-8-20-9-6-12/h1-6,8-9,13H,7,10-11H2,(H2,19,24)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide?
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94434184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).