N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide

C12H14N4O — CID 104696736

IUPACN-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESN#Cc1ncccc1NCCNC(=O)C1CC1
InChIInChI=1S/C12H14N4O/c13-8-11-10(2-1-5-14-11)15-6-7-16-12(17)9-3-4-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyXUZJCNXWNRQCLP-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.89
Rot. Bonds5

About N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 104696736) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID104696736
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESN#Cc1ncccc1NCCNC(=O)C1CC1
InChIInChI=1S/C12H14N4O/c13-8-11-10(2-1-5-14-11)15-6-7-16-12(17)9-3-4-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyXUZJCNXWNRQCLP-UHFFFAOYSA-N
XLogP0.89
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile
CID 115306698
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115657281
N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide
CID 114041356
2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337732
1-[[(2-cyano-3-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436141
3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
CID 136531393
3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
CID 107418642
3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile
CID 107296225
N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 106597853
N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305761
N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide
CID 78894739

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide (CID 104696736) is N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide is N#Cc1ncccc1NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is XUZJCNXWNRQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-8-11-10(2-1-5-14-11)15-6-7-16-12(17)9-3-4-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17).
What are the key properties of N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 104696736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).