2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide

C11H15N3O2 — CID 82239647

IUPAC2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC2N)cn1
InChIInChI=1S/C11H15N3O2/c1-16-10-3-2-7(5-13-10)6-14-11(15)8-4-9(8)12/h2-3,5,8-9H,4,6,12H2,1H3,(H,14,15)
InChIKeyVBKNINAUIVGWAF-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.05
Rot. Bonds4

About 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide

2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 82239647) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID82239647
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC2N)cn1
InChIInChI=1S/C11H15N3O2/c1-16-10-3-2-7(5-13-10)6-14-11(15)8-4-9(8)12/h2-3,5,8-9H,4,6,12H2,1H3,(H,14,15)
InChIKeyVBKNINAUIVGWAF-UHFFFAOYSA-N
XLogP0.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 42930455
2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60940395
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267416
N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
CID 139007117
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
CID 62993835
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
(2R,3R)-N-[(6-methoxy-3-pyridinyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 154796427
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 82239647) is 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2CC2N)cn1.
What is the InChIKey of 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is VBKNINAUIVGWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-10-3-2-7(5-13-10)6-14-11(15)8-4-9(8)12/h2-3,5,8-9H,4,6,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 82239647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).