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

C28H30N6O — CID 71583159

IUPAC1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCN1C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C28H30N6O/c1-19(31-27(35)26-5-3-4-16-34(26)2)20-6-9-24(10-7-20)32-28-30-18-23-17-22(8-11-25(23)33-28)21-12-14-29-15-13-21/h6-15,17-19,26H,3-5,16H2,1-2H3,(H,31,35)(H,30,32,33)/t19-,26?/m1/s1
InChIKeyDNLHCDOKNZPOJU-ICCFGIFFSA-N
MW466.59 g/mol
LogP5.10
Rot. Bonds6

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

1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide (PubChem CID 71583159) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide
PubChem CID71583159
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCN1C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C28H30N6O/c1-19(31-27(35)26-5-3-4-16-34(26)2)20-6-9-24(10-7-20)32-28-30-18-23-17-22(8-11-25(23)33-28)21-12-14-29-15-13-21/h6-15,17-19,26H,3-5,16H2,1-2H3,(H,31,35)(H,30,32,33)/t19-,26?/m1/s1
InChIKeyDNLHCDOKNZPOJU-ICCFGIFFSA-N
XLogP5.10
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide (CID 71583159) is 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide is C[C@@H](NC(=O)C1CCCCN1C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide?
The InChIKey is DNLHCDOKNZPOJU-ICCFGIFFSA-N. The full InChI is InChI=1S/C28H30N6O/c1-19(31-27(35)26-5-3-4-16-34(26)2)20-6-9-24(10-7-20)32-28-30-18-23-17-22(8-11-25(23)33-28)21-12-14-29-15-13-21/h6-15,17-19,26H,3-5,16H2,1-2H3,(H,31,35)(H,30,32,33)/t19-,26?/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide?
1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 71583159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).