4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide

C20H21N5O — CID 71842437

IUPAC4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2ncnc(N3CCCCC3)c2c1
InChIInChI=1S/C20H21N5O/c26-20(22-13-16-6-2-3-9-21-16)15-7-8-18-17(12-15)19(24-14-23-18)25-10-4-1-5-11-25/h2-3,6-9,12,14H,1,4-5,10-11,13H2,(H,22,26)
InChIKeySJKUQJBJETZYQD-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.95
Rot. Bonds4

About 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide

4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide (PubChem CID 71842437) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
PubChem CID71842437
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2ncnc(N3CCCCC3)c2c1
InChIInChI=1S/C20H21N5O/c26-20(22-13-16-6-2-3-9-21-16)15-7-8-18-17(12-15)19(24-14-23-18)25-10-4-1-5-11-25/h2-3,6-9,12,14H,1,4-5,10-11,13H2,(H,22,26)
InChIKeySJKUQJBJETZYQD-UHFFFAOYSA-N
XLogP2.95
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451
N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842381
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71830338
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842457
4-(azepan-1-yl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 15994983
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide?
The IUPAC name of 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide (CID 71842437) is 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide.
What is the SMILES notation for 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide?
The canonical SMILES for 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide is O=C(NCc1ccccn1)c1ccc2ncnc(N3CCCCC3)c2c1.
What is the InChIKey of 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide?
The InChIKey is SJKUQJBJETZYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(22-13-16-6-2-3-9-21-16)15-7-8-18-17(12-15)19(24-14-23-18)25-10-4-1-5-11-25/h2-3,6-9,12,14H,1,4-5,10-11,13H2,(H,22,26).
What are the key properties of 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide?
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide is sourced from PubChem (CID 71842437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).