N-pyridin-4-ylpyrrolidine-3-carboxamide

C10H13N3O — CID 63005932

IUPACN-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CCNC1
InChIInChI=1S/C10H13N3O/c14-10(8-1-4-12-7-8)13-9-2-5-11-6-3-9/h2-3,5-6,8,12H,1,4,7H2,(H,11,13,14)
InChIKeyBIYFOOCCIVPURX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.63
Rot. Bonds2

About N-pyridin-4-ylpyrrolidine-3-carboxamide

N-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 63005932) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-pyridin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID63005932
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CCNC1
InChIInChI=1S/C10H13N3O/c14-10(8-1-4-12-7-8)13-9-2-5-11-6-3-9/h2-3,5-6,8,12H,1,4,7H2,(H,11,13,14)
InChIKeyBIYFOOCCIVPURX-UHFFFAOYSA-N
XLogP0.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119864785
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 115159350
N-pyridin-4-ylazetidine-2-carboxamide
CID 130908968
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119707800
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-pyridin-4-ylpyrrolidine-3-carboxamide (CID 63005932) is N-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-pyridin-4-ylpyrrolidine-3-carboxamide is O=C(Nc1ccncc1)C1CCNC1.
What is the InChIKey of N-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is BIYFOOCCIVPURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(8-1-4-12-7-8)13-9-2-5-11-6-3-9/h2-3,5-6,8,12H,1,4,7H2,(H,11,13,14).
What are the key properties of N-pyridin-4-ylpyrrolidine-3-carboxamide?
N-pyridin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63005932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).