2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide

C13H17N3O — CID 142959567

IUPAC2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide
SMILESCC/C=C/N(c1ncccc1C(N)=O)C1CC1
InChIInChI=1S/C13H17N3O/c1-2-3-9-16(10-6-7-10)13-11(12(14)17)5-4-8-15-13/h3-5,8-10H,2,6-7H2,1H3,(H2,14,17)/b9-3+
InChIKeyYMHPNEAGUAOWFX-YCRREMRBSA-N
MW231.30 g/mol
LogP2.07
Rot. Bonds5

About 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide

2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide (PubChem CID 142959567) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide
PubChem CID142959567
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide
SMILESCC/C=C/N(c1ncccc1C(N)=O)C1CC1
InChIInChI=1S/C13H17N3O/c1-2-3-9-16(10-6-7-10)13-11(12(14)17)5-4-8-15-13/h3-5,8-10H,2,6-7H2,1H3,(H2,14,17)/b9-3+
InChIKeyYMHPNEAGUAOWFX-YCRREMRBSA-N
XLogP2.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide
CID 61232537
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
CID 62977992
2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770
2-amino-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155108
2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate
CID 21451098
2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide
CID 174891136
2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 79719768
2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid
CID 54926120
2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxamide
CID 131929979
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide (CID 142959567) is 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide is CC/C=C/N(c1ncccc1C(N)=O)C1CC1.
What is the InChIKey of 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide?
The InChIKey is YMHPNEAGUAOWFX-YCRREMRBSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-9-16(10-6-7-10)13-11(12(14)17)5-4-8-15-13/h3-5,8-10H,2,6-7H2,1H3,(H2,14,17)/b9-3+.
What are the key properties of 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide?
2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide is sourced from PubChem (CID 142959567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).