1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide

C12H17N3O — CID 65463841

IUPAC1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)C1(N)CC1
InChIInChI=1S/C12H17N3O/c1-9(10-3-7-14-8-4-10)15(2)11(16)12(13)5-6-12/h3-4,7-9H,5-6,13H2,1-2H3
InChIKeyBKYHZNQGFRWENF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.09
Rot. Bonds3

About 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide

1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide (PubChem CID 65463841) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
PubChem CID65463841
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)C1(N)CC1
InChIInChI=1S/C12H17N3O/c1-9(10-3-7-14-8-4-10)15(2)11(16)12(13)5-6-12/h3-4,7-9H,5-6,13H2,1-2H3
InChIKeyBKYHZNQGFRWENF-UHFFFAOYSA-N
XLogP1.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173083
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 115294203
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874185
1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 54874342
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide (CID 65463841) is 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide is CC(c1ccncc1)N(C)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is BKYHZNQGFRWENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(10-3-7-14-8-4-10)15(2)11(16)12(13)5-6-12/h3-4,7-9H,5-6,13H2,1-2H3.
What are the key properties of 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65463841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).