N-pyridin-4-ylpyrrolidine-2-carboxamide

C10H13N3O — CID 18072890

IUPACN-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN1
InChIInChI=1S/C10H13N3O/c14-10(9-2-1-5-12-9)13-8-3-6-11-7-4-8/h3-4,6-7,9,12H,1-2,5H2,(H,11,13,14)
InChIKeyQKANLPJIQRFDKI-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.77
Rot. Bonds2

About N-pyridin-4-ylpyrrolidine-2-carboxamide

N-pyridin-4-ylpyrrolidine-2-carboxamide (PubChem CID 18072890) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-pyridin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-ylpyrrolidine-2-carboxamide
PubChem CID18072890
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN1
InChIInChI=1S/C10H13N3O/c14-10(9-2-1-5-12-9)13-8-3-6-11-7-4-8/h3-4,6-7,9,12H,1-2,5H2,(H,11,13,14)
InChIKeyQKANLPJIQRFDKI-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
N-pyridin-4-ylazetidine-2-carboxamide
CID 130908968
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119328472
N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 119877635

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-pyridin-4-ylpyrrolidine-2-carboxamide (CID 18072890) is N-pyridin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-pyridin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-pyridin-4-ylpyrrolidine-2-carboxamide is O=C(Nc1ccncc1)C1CCCN1.
What is the InChIKey of N-pyridin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is QKANLPJIQRFDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(9-2-1-5-12-9)13-8-3-6-11-7-4-8/h3-4,6-7,9,12H,1-2,5H2,(H,11,13,14).
What are the key properties of N-pyridin-4-ylpyrrolidine-2-carboxamide?
N-pyridin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.77, 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-2-carboxamide is sourced from PubChem (CID 18072890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).