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

C29H32N6O2 — CID 71583160

IUPAC(2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCCN1CCO)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C29H32N6O2/c1-20(32-28(37)27-4-2-3-15-35(27)16-17-36)21-5-8-25(9-6-21)33-29-31-19-24-18-23(7-10-26(24)34-29)22-11-13-30-14-12-22/h5-14,18-20,27,36H,2-4,15-17H2,1H3,(H,32,37)(H,31,33,34)/t20-,27-/m1/s1
InChIKeyRFOGWAWYFJVZET-NFQMXDRXSA-N
MW496.62 g/mol
LogP4.46
Rot. Bonds8

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

(2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide (PubChem CID 71583160) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is (2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide
PubChem CID71583160
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name(2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCCN1CCO)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C29H32N6O2/c1-20(32-28(37)27-4-2-3-15-35(27)16-17-36)21-5-8-25(9-6-21)33-29-31-19-24-18-23(7-10-26(24)34-29)22-11-13-30-14-12-22/h5-14,18-20,27,36H,2-4,15-17H2,1H3,(H,32,37)(H,31,33,34)/t20-,27-/m1/s1
InChIKeyRFOGWAWYFJVZET-NFQMXDRXSA-N
XLogP4.46
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide (CID 71583160) is (2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide is C[C@@H](NC(=O)[C@H]1CCCCN1CCO)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of (2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide?
The InChIKey is RFOGWAWYFJVZET-NFQMXDRXSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-20(32-28(37)27-4-2-3-15-35(27)16-17-36)21-5-8-25(9-6-21)33-29-31-19-24-18-23(7-10-26(24)34-29)22-11-13-30-14-12-22/h5-14,18-20,27,36H,2-4,15-17H2,1H3,(H,32,37)(H,31,33,34)/t20-,27-/m1/s1.
What are the key properties of (2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide?
(2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide has a molecular weight of 496.62 g/mol, XLogP of 4.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-hydroxyethyl)-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 71583160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).