6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide

C22H23N5O2 — CID 72869433

IUPAC6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)c1cnc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C22H23N5O2/c28-21(18-14-24-20(26-22(18)29)17-8-10-23-11-9-17)25-19(15-27-12-4-5-13-27)16-6-2-1-3-7-16/h1-3,6-11,14,19H,4-5,12-13,15H2,(H,25,28)(H,24,26,29)
InChIKeyQXOMTTKIGWUUQO-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.40
Rot. Bonds6

About 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide

6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide (PubChem CID 72869433) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide
PubChem CID72869433
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)c1cnc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C22H23N5O2/c28-21(18-14-24-20(26-22(18)29)17-8-10-23-11-9-17)25-19(15-27-12-4-5-13-27)16-6-2-1-3-7-16/h1-3,6-11,14,19H,4-5,12-13,15H2,(H,25,28)(H,24,26,29)
InChIKeyQXOMTTKIGWUUQO-UHFFFAOYSA-N
XLogP2.40
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

(3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 97438177
6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
CID 70724558
2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155953730
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
CID 90384979
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylcyclopropane-1-carboxamide
CID 66692410
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72898375
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 78892187
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide (CID 72869433) is 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide is O=C(NC(CN1CCCC1)c1ccccc1)c1cnc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is QXOMTTKIGWUUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(18-14-24-20(26-22(18)29)17-8-10-23-11-9-17)25-19(15-27-12-4-5-13-27)16-6-2-1-3-7-16/h1-3,6-11,14,19H,4-5,12-13,15H2,(H,25,28)(H,24,26,29).
What are the key properties of 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide?
6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72869433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).