(2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide

C26H26N6O — CID 71583273

IUPAC(2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCN1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C26H26N6O/c1-17(30-25(33)24-3-2-12-28-24)18-4-7-22(8-5-18)31-26-29-16-21-15-20(6-9-23(21)32-26)19-10-13-27-14-11-19/h4-11,13-17,24,28H,2-3,12H2,1H3,(H,30,33)(H,29,31,32)/t17-,24-/m1/s1
InChIKeyVNTPCWOWTJRXIO-MZNJEOGPSA-N
MW438.54 g/mol
LogP4.36
Rot. Bonds6

About (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide

(2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 71583273) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID71583273
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name(2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCN1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C26H26N6O/c1-17(30-25(33)24-3-2-12-28-24)18-4-7-22(8-5-18)31-26-29-16-21-15-20(6-9-23(21)32-26)19-10-13-27-14-11-19/h4-11,13-17,24,28H,2-3,12H2,1H3,(H,30,33)(H,29,31,32)/t17-,24-/m1/s1
InChIKeyVNTPCWOWTJRXIO-MZNJEOGPSA-N
XLogP4.36
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide (CID 71583273) is (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide is C[C@@H](NC(=O)[C@H]1CCCN1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VNTPCWOWTJRXIO-MZNJEOGPSA-N. The full InChI is InChI=1S/C26H26N6O/c1-17(30-25(33)24-3-2-12-28-24)18-4-7-22(8-5-18)31-26-29-16-21-15-20(6-9-23(21)32-26)19-10-13-27-14-11-19/h4-11,13-17,24,28H,2-3,12H2,1H3,(H,30,33)(H,29,31,32)/t17-,24-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide?
(2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71583273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).