N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide

C12H17N3O2 — CID 113010317

IUPACN-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide
SMILESCOCCNc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C12H17N3O2/c1-17-7-6-13-11-5-4-10(8-14-11)15-12(16)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyNDJOILRLBPSSTM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.49
Rot. Bonds6

About N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide

N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 113010317) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide
PubChem CID113010317
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide
SMILESCOCCNc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C12H17N3O2/c1-17-7-6-13-11-5-4-10(8-14-11)15-12(16)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyNDJOILRLBPSSTM-UHFFFAOYSA-N
XLogP1.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.49
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

N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113010772
N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113015064
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
5-hydrazinyl-N-(2-methoxyethyl)pyridin-2-amine
CID 55281043
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
N-[6-(tert-butylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113014760

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide (CID 113010317) is N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide is COCCNc1ccc(NC(=O)C2CC2)cn1.
What is the InChIKey of N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is NDJOILRLBPSSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-7-6-13-11-5-4-10(8-14-11)15-12(16)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide?
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113010317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).