6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C23H22N6O2 — CID 165415245

IUPAC6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H22N6O2/c30-21-5-2-10-29(21)18-4-1-3-16(11-18)27-23(31)22-20(26-17-12-24-14-25-13-17)9-8-19(28-22)15-6-7-15/h1,3-4,8-9,11-15,26H,2,5-7,10H2,(H,27,31)
InChIKeySMKWDCAPDJVFQH-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.87
Rot. Bonds6

About 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415245) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415245
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H22N6O2/c30-21-5-2-10-29(21)18-4-1-3-16(11-18)27-23(31)22-20(26-17-12-24-14-25-13-17)9-8-19(28-22)15-6-7-15/h1,3-4,8-9,11-15,26H,2,5-7,10H2,(H,27,31)
InChIKeySMKWDCAPDJVFQH-UHFFFAOYSA-N
XLogP3.87
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415137
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CID 51251631
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
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3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62045003
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
CID 51213619

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415245) is 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is SMKWDCAPDJVFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-21-5-2-10-29(21)18-4-1-3-16(11-18)27-23(31)22-20(26-17-12-24-14-25-13-17)9-8-19(28-22)15-6-7-15/h1,3-4,8-9,11-15,26H,2,5-7,10H2,(H,27,31).
What are the key properties of 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).