N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide

C13H19N3O — CID 115621333

IUPACN-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-10(11-4-6-14-7-5-11)15-8-9-16-13(17)12-2-3-12/h4-7,10,12,15H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyXBUOKBAAYXHWQQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide

N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115621333) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
PubChem CID115621333
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-10(11-4-6-14-7-5-11)15-8-9-16-13(17)12-2-3-12/h4-7,10,12,15H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyXBUOKBAAYXHWQQ-UHFFFAOYSA-N
XLogP1.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113259819
N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide
CID 42959318
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761
N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115905342
N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371
N-[2-[1-(3-nitrophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115574213
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-carboxamide
CID 81409992
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide (CID 115621333) is N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide is CC(NCCNC(=O)C1CC1)c1ccncc1.
What is the InChIKey of N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is XBUOKBAAYXHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(11-4-6-14-7-5-11)15-8-9-16-13(17)12-2-3-12/h4-7,10,12,15H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide?
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115621333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).