N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide

C13H19N3O2 — CID 115611200

IUPACN-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCc1ccc(O)c(CNCCNC(=O)C2CC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-2-5-12(17)11(16-9)8-14-6-7-15-13(18)10-3-4-10/h2,5,10,14,17H,3-4,6-8H2,1H3,(H,15,18)
InChIKeyMKWVQPYLZJWLBQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.71
Rot. Bonds6

About N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115611200) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID115611200
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCc1ccc(O)c(CNCCNC(=O)C2CC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-2-5-12(17)11(16-9)8-14-6-7-15-13(18)10-3-4-10/h2,5,10,14,17H,3-4,6-8H2,1H3,(H,15,18)
InChIKeyMKWVQPYLZJWLBQ-UHFFFAOYSA-N
XLogP0.71
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115633613
N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602923
N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115641192
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78943361
6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
CID 116643034
2-[(cyclobutylamino)methyl]-6-methylpyridin-3-ol
CID 78950424
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 78928633
6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 107295445
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide (CID 115611200) is N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide is Cc1ccc(O)c(CNCCNC(=O)C2CC2)n1.
What is the InChIKey of N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is MKWVQPYLZJWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-2-5-12(17)11(16-9)8-14-6-7-15-13(18)10-3-4-10/h2,5,10,14,17H,3-4,6-8H2,1H3,(H,15,18).
What are the key properties of N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115611200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).