N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C11H15N3O — CID 43094683

IUPACN-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN1
InChIInChI=1S/C11H15N3O/c15-11(10-2-1-5-13-10)14-8-9-3-6-12-7-4-9/h3-4,6-7,10,13H,1-2,5,8H2,(H,14,15)
InChIKeyRIFMAPSSGFTWLN-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.45
Rot. Bonds3

About N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 43094683) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID43094683
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN1
InChIInChI=1S/C11H15N3O/c15-11(10-2-1-5-13-10)14-8-9-3-6-12-7-4-9/h3-4,6-7,10,13H,1-2,5,8H2,(H,14,15)
InChIKeyRIFMAPSSGFTWLN-UHFFFAOYSA-N
XLogP0.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119874536
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-(1H-pyrrol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 82491181
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 43094683) is N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccncc1)C1CCCN1.
What is the InChIKey of N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is RIFMAPSSGFTWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11(10-2-1-5-13-10)14-8-9-3-6-12-7-4-9/h3-4,6-7,10,13H,1-2,5,8H2,(H,14,15).
What are the key properties of N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43094683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).