1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide

C12H17N3O — CID 81179767

IUPAC1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCC1)c1ccccn1
InChIInChI=1S/C12H17N3O/c1-9(10-5-2-3-8-14-10)15-11(16)12(13)6-4-7-12/h2-3,5,8-9H,4,6-7,13H2,1H3,(H,15,16)
InChIKeyXGCIPXLQFHKYIP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.14
Rot. Bonds3

About 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide

1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide (PubChem CID 81179767) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
PubChem CID81179767
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCC1)c1ccccn1
InChIInChI=1S/C12H17N3O/c1-9(10-5-2-3-8-14-10)15-11(16)12(13)6-4-7-12/h2-3,5,8-9H,4,6-7,13H2,1H3,(H,15,16)
InChIKeyXGCIPXLQFHKYIP-UHFFFAOYSA-N
XLogP1.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 80597057
2-(1-aminocyclopentyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 64686366
1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 61463136
1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide
CID 103930614
2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide
CID 81179768
2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
CID 83073993
4-(N'-hydroxycarbamimidoyl)-N-(1-pyridin-2-ylethyl)oxane-4-carboxamide
CID 76919981
3-ethyl-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407453
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide (CID 81179767) is 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide is CC(NC(=O)C1(N)CCC1)c1ccccn1.
What is the InChIKey of 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is XGCIPXLQFHKYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(10-5-2-3-8-14-10)15-11(16)12(13)6-4-7-12/h2-3,5,8-9H,4,6-7,13H2,1H3,(H,15,16).
What are the key properties of 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide?
1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81179767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).