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

C25H25N7O — CID 155902513

IUPACN-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccncc1)N1CCC(CNc2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C25H25N7O/c33-25(29-20-7-12-26-13-8-20)32-14-9-18(10-15-32)16-28-24-21-5-1-2-6-22(21)30-23(31-24)19-4-3-11-27-17-19/h1-8,11-13,17-18H,9-10,14-16H2,(H,26,29,33)(H,28,30,31)
InChIKeyOXCGLEVVRDWINL-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.44
Rot. Bonds5

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

N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide (PubChem CID 155902513) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
PubChem CID155902513
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC NameN-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccncc1)N1CCC(CNc2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C25H25N7O/c33-25(29-20-7-12-26-13-8-20)32-14-9-18(10-15-32)16-28-24-21-5-1-2-6-22(21)30-23(31-24)19-4-3-11-27-17-19/h1-8,11-13,17-18H,9-10,14-16H2,(H,26,29,33)(H,28,30,31)
InChIKeyOXCGLEVVRDWINL-UHFFFAOYSA-N
XLogP4.44
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2,2,2-trifluoro-1-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133346991
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2545874
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085
N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 7999462
1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286263
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316378

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide (CID 155902513) is N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide is O=C(Nc1ccncc1)N1CCC(CNc2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide?
The InChIKey is OXCGLEVVRDWINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c33-25(29-20-7-12-26-13-8-20)32-14-9-18(10-15-32)16-28-24-21-5-1-2-6-22(21)30-23(31-24)19-4-3-11-27-17-19/h1-8,11-13,17-18H,9-10,14-16H2,(H,26,29,33)(H,28,30,31).
What are the key properties of N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide?
N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 155902513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).