N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide

C12H17N3O2 — CID 113313670

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1(CN)CC1
InChIInChI=1S/C12H17N3O2/c1-17-11-9(3-2-6-14-11)10(16)15-8-12(7-13)4-5-12/h2-3,6H,4-5,7-8,13H2,1H3,(H,15,16)
InChIKeyHWHVUFDGBNLWJE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.56
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 113313670) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID113313670
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1(CN)CC1
InChIInChI=1S/C12H17N3O2/c1-17-11-9(3-2-6-14-11)10(16)15-8-12(7-13)4-5-12/h2-3,6H,4-5,7-8,13H2,1H3,(H,15,16)
InChIKeyHWHVUFDGBNLWJE-UHFFFAOYSA-N
XLogP0.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(ethoxymethyl)cyclobutyl]methyl]-2-methoxypyridine-3-carboxamide
CID 122556668
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
N-(3-bromo-2,2-dimethylpropyl)-2-methoxypyridine-3-carboxamide
CID 115364804
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide (CID 113313670) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is HWHVUFDGBNLWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-11-9(3-2-6-14-11)10(16)15-8-12(7-13)4-5-12/h2-3,6H,4-5,7-8,13H2,1H3,(H,15,16).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 113313670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).