N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide

C21H22N4O — CID 171061363

IUPACN-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
SMILESO=C(NC1CCN(Cc2cccnc2)CC1)c1cnc2ccccc2c1
InChIInChI=1S/C21H22N4O/c26-21(18-12-17-5-1-2-6-20(17)23-14-18)24-19-7-10-25(11-8-19)15-16-4-3-9-22-13-16/h1-6,9,12-14,19H,7-8,10-11,15H2,(H,24,26)
InChIKeyASIWEAQLFLEUGB-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.02
Rot. Bonds4

About N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide

N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 171061363) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
PubChem CID171061363
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
SMILESO=C(NC1CCN(Cc2cccnc2)CC1)c1cnc2ccccc2c1
InChIInChI=1S/C21H22N4O/c26-21(18-12-17-5-1-2-6-20(17)23-14-18)24-19-7-10-25(11-8-19)15-16-4-3-9-22-13-16/h1-6,9,12-14,19H,7-8,10-11,15H2,(H,24,26)
InChIKeyASIWEAQLFLEUGB-UHFFFAOYSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
CID 118521845
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
6-[4-[[4-[4-(pyridine-4-carbonylamino)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-N-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]quinoline-3-carboxamide
CID 143495714
N-(1-ethylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30853915
(3S)-3-naphthalen-1-yl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3-pyrrol-1-ylpropanamide
CID 125123917
1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 10165231
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74232856

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide (CID 171061363) is N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide is O=C(NC1CCN(Cc2cccnc2)CC1)c1cnc2ccccc2c1.
What is the InChIKey of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is ASIWEAQLFLEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(18-12-17-5-1-2-6-20(17)23-14-18)24-19-7-10-25(11-8-19)15-16-4-3-9-22-13-16/h1-6,9,12-14,19H,7-8,10-11,15H2,(H,24,26).
What are the key properties of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide?
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 171061363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).