N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide

C17H24N4O — CID 154757862

IUPACN-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)N1CCCC2CC21
InChIInChI=1S/C17H24N4O/c22-17(21-9-3-4-14-10-15(14)21)19-12-13-5-6-16(18-11-13)20-7-1-2-8-20/h5-6,11,14-15H,1-4,7-10,12H2,(H,19,22)
InChIKeyXMOLTOBLHQMQPW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.38
Rot. Bonds3

About N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide

N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide (PubChem CID 154757862) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide
PubChem CID154757862
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)N1CCCC2CC21
InChIInChI=1S/C17H24N4O/c22-17(21-9-3-4-14-10-15(14)21)19-12-13-5-6-16(18-11-13)20-7-1-2-8-20/h5-6,11,14-15H,1-4,7-10,12H2,(H,19,22)
InChIKeyXMOLTOBLHQMQPW-UHFFFAOYSA-N
XLogP2.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 87036049
1-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 47048348
1-(2,2-dimethylpropanoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51120280
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846500
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
2-oxo-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]imidazolidine-4-carboxamide
CID 71877710
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
1-hydroxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 110907185
2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 155950121
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide?
The IUPAC name of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide (CID 154757862) is N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide.
What is the SMILES notation for N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide?
The canonical SMILES for N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide is O=C(NCc1ccc(N2CCCC2)nc1)N1CCCC2CC21.
What is the InChIKey of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide?
The InChIKey is XMOLTOBLHQMQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-17(21-9-3-4-14-10-15(14)21)19-12-13-5-6-16(18-11-13)20-7-1-2-8-20/h5-6,11,14-15H,1-4,7-10,12H2,(H,19,22).
What are the key properties of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide?
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide is sourced from PubChem (CID 154757862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).