1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

C12H17N3O — CID 80587212

IUPAC1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1ccncc1)C(=O)C1(CN)CC1
InChIInChI=1S/C12H17N3O/c1-15(8-10-2-6-14-7-3-10)11(16)12(9-13)4-5-12/h2-3,6-7H,4-5,8-9,13H2,1H3
InChIKeyCGESWYQUJYEEMO-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.78
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 80587212) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID80587212
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1ccncc1)C(=O)C1(CN)CC1
InChIInChI=1S/C12H17N3O/c1-15(8-10-2-6-14-7-3-10)11(16)12(9-13)4-5-12/h2-3,6-7H,4-5,8-9,13H2,1H3
InChIKeyCGESWYQUJYEEMO-UHFFFAOYSA-N
XLogP0.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
N-methyl-1-(methylaminomethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 115183752
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 115448413
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 47413974
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 78994564
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 113312820
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 104677611
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441678
2-(1-aminocyclopentyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 64684189
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylcyclobutane-1-carboxamide
CID 115447918

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (CID 80587212) is 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is CN(Cc1ccncc1)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is CGESWYQUJYEEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(8-10-2-6-14-7-3-10)11(16)12(9-13)4-5-12/h2-3,6-7H,4-5,8-9,13H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80587212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).