N-(pyridin-3-ylmethyl)cyclopentanecarboxamide

C12H16N2O — CID 595870

IUPACN-(pyridin-3-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCc1cccnc1)C1CCCC1
InChIInChI=1S/C12H16N2O/c15-12(11-5-1-2-6-11)14-9-10-4-3-7-13-8-10/h3-4,7-8,11H,1-2,5-6,9H2,(H,14,15)
InChIKeyVAQBAQQPCKTLQG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds3

About N-(pyridin-3-ylmethyl)cyclopentanecarboxamide

N-(pyridin-3-ylmethyl)cyclopentanecarboxamide (PubChem CID 595870) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)cyclopentanecarboxamide
PubChem CID595870
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(pyridin-3-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCc1cccnc1)C1CCCC1
InChIInChI=1S/C12H16N2O/c15-12(11-5-1-2-6-11)14-9-10-4-3-7-13-8-10/h3-4,7-8,11H,1-2,5-6,9H2,(H,14,15)
InChIKeyVAQBAQQPCKTLQG-UHFFFAOYSA-N
XLogP1.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 2815214
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-benzylcyclopentanecarboxamide
CID 835634
1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 60506587
4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148789

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)cyclopentanecarboxamide (CID 595870) is N-(pyridin-3-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)cyclopentanecarboxamide is O=C(NCc1cccnc1)C1CCCC1.
What is the InChIKey of N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
The InChIKey is VAQBAQQPCKTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(11-5-1-2-6-11)14-9-10-4-3-7-13-8-10/h3-4,7-8,11H,1-2,5-6,9H2,(H,14,15).
What are the key properties of N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 595870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).