N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide

C19H20N4O — CID 163345952

IUPACN-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1cc2ccccc2nc1N1CCCC(NC(=O)C2CC2)C1
InChIInChI=1S/C19H20N4O/c20-11-15-10-14-4-1-2-6-17(14)22-18(15)23-9-3-5-16(12-23)21-19(24)13-7-8-13/h1-2,4,6,10,13,16H,3,5,7-9,12H2,(H,21,24)
InChIKeyRMAJCWANCZCBOX-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.60
Rot. Bonds3

About N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide

N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 163345952) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID163345952
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1cc2ccccc2nc1N1CCCC(NC(=O)C2CC2)C1
InChIInChI=1S/C19H20N4O/c20-11-15-10-14-4-1-2-6-17(14)22-18(15)23-9-3-5-16(12-23)21-19(24)13-7-8-13/h1-2,4,6,10,13,16H,3,5,7-9,12H2,(H,21,24)
InChIKeyRMAJCWANCZCBOX-UHFFFAOYSA-N
XLogP2.60
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
CID 166323522
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975375
2-amino-N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
CID 75598292
tert-butyl N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]carbamate
CID 77496249
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348550
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943
2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 103896118
N-[1-(4-methylquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974621
2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile
CID 163353105
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974212
N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide
CID 146038812
N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide
CID 96567399

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide (CID 163345952) is N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide is N#Cc1cc2ccccc2nc1N1CCCC(NC(=O)C2CC2)C1.
What is the InChIKey of N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is RMAJCWANCZCBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-11-15-10-14-4-1-2-6-17(14)22-18(15)23-9-3-5-16(12-23)21-19(24)13-7-8-13/h1-2,4,6,10,13,16H,3,5,7-9,12H2,(H,21,24).
What are the key properties of N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163345952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).