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

C25H25N7O — CID 133286263

IUPAC1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C25H25N7O/c26-22(33)17-9-13-32(14-10-17)25-19(6-4-12-28-25)16-29-24-20-7-1-2-8-21(20)30-23(31-24)18-5-3-11-27-15-18/h1-8,11-12,15,17H,9-10,13-14,16H2,(H2,26,33)(H,29,30,31)
InChIKeyGVBRVGFMIWAMNS-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.40
Rot. Bonds6

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

1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 133286263) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID133286263
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C25H25N7O/c26-22(33)17-9-13-32(14-10-17)25-19(6-4-12-28-25)16-29-24-20-7-1-2-8-21(20)30-23(31-24)18-5-3-11-27-15-18/h1-8,11-12,15,17H,9-10,13-14,16H2,(H2,26,33)(H,29,30,31)
InChIKeyGVBRVGFMIWAMNS-UHFFFAOYSA-N
XLogP3.40
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286261
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721
1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286260
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286270
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
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
N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
CID 133287736
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 133286263) is 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncccc2CNc2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is GVBRVGFMIWAMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c26-22(33)17-9-13-32(14-10-17)25-19(6-4-12-28-25)16-29-24-20-7-1-2-8-21(20)30-23(31-24)18-5-3-11-27-15-18/h1-8,11-12,15,17H,9-10,13-14,16H2,(H2,26,33)(H,29,30,31).
What are the key properties of 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 133286263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).