N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C15H17ClN4O — CID 119328472

IUPACN-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cncnc2)cc1)C1CCCN1
InChIInChI=1S/C15H16N4O.ClH/c20-15(14-2-1-7-18-14)19-13-5-3-11(4-6-13)12-8-16-10-17-9-12;/h3-6,8-10,14,18H,1-2,7H2,(H,19,20);1H
InChIKeyVCWJBIDYFDYJHP-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.26
Rot. Bonds3

About N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride

N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119328472) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119328472
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cncnc2)cc1)C1CCCN1
InChIInChI=1S/C15H16N4O.ClH/c20-15(14-2-1-7-18-14)19-13-5-3-11(4-6-13)12-8-16-10-17-9-12;/h3-6,8-10,14,18H,1-2,7H2,(H,19,20);1H
InChIKeyVCWJBIDYFDYJHP-UHFFFAOYSA-N
XLogP2.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 71942875
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269600
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119328472) is N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-c2cncnc2)cc1)C1CCCN1.
What is the InChIKey of N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VCWJBIDYFDYJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.ClH/c20-15(14-2-1-7-18-14)19-13-5-3-11(4-6-13)12-8-16-10-17-9-12;/h3-6,8-10,14,18H,1-2,7H2,(H,19,20);1H.
What are the key properties of N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119328472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).