N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide

C20H21N5O — CID 49431018

IUPACN-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N5O/c1-14(26)22-16-8-12-25(13-9-16)20-17-4-2-3-5-18(17)23-19(24-20)15-6-10-21-11-7-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,22,26)
InChIKeyLIVFVAMRKWGIEO-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.80
Rot. Bonds3

About N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide

N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide (PubChem CID 49431018) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
PubChem CID49431018
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N5O/c1-14(26)22-16-8-12-25(13-9-16)20-17-4-2-3-5-18(17)23-19(24-20)15-6-10-21-11-7-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,22,26)
InChIKeyLIVFVAMRKWGIEO-UHFFFAOYSA-N
XLogP2.80
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133396172
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235
N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide
CID 143198414
N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
CID 133287736
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
N-(1-methoxyethyl)-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-amine
CID 90869046
N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide
CID 59302734
(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
CID 95150705

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide (CID 49431018) is N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is LIVFVAMRKWGIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(26)22-16-8-12-25(13-9-16)20-17-4-2-3-5-18(17)23-19(24-20)15-6-10-21-11-7-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,22,26).
What are the key properties of N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide?
N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 49431018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).