1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C26H26N6O — CID 133286261

IUPAC1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C26H26N6O/c27-23(33)18-12-15-32(16-13-18)26-20(9-6-14-28-26)17-29-25-21-10-4-5-11-22(21)30-24(31-25)19-7-2-1-3-8-19/h1-11,14,18H,12-13,15-17H2,(H2,27,33)(H,29,30,31)
InChIKeyILIVPPSLTAHQDY-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.01
Rot. Bonds6

About 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 133286261) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID133286261
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C26H26N6O/c27-23(33)18-12-15-32(16-13-18)26-20(9-6-14-28-26)17-29-25-21-10-4-5-11-22(21)30-24(31-25)19-7-2-1-3-8-19/h1-11,14,18H,12-13,15-17H2,(H2,27,33)(H,29,30,31)
InChIKeyILIVPPSLTAHQDY-UHFFFAOYSA-N
XLogP4.01
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286263
1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286260
1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286270
1-[3-[[(2-anilinoacetyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride
CID 119877052
1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286301
1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 56827310
1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286281
1-[3-[[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111635995
1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 103880534
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 86793900
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 133286261) is 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncccc2CNc2nc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is ILIVPPSLTAHQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c27-23(33)18-12-15-32(16-13-18)26-20(9-6-14-28-26)17-29-25-21-10-4-5-11-22(21)30-24(31-25)19-7-2-1-3-8-19/h1-11,14,18H,12-13,15-17H2,(H2,27,33)(H,29,30,31).
What are the key properties of 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 133286261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).