N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C23H22N6O2 — CID 91952580

IUPACN-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCN1Cc2ccc(NC(=O)c3cnc(N4CCCC4)nc3-c3cccnc3)cc2C1=O
InChIInChI=1S/C23H22N6O2/c1-28-14-16-6-7-17(11-18(16)22(28)31)26-21(30)19-13-25-23(29-9-2-3-10-29)27-20(19)15-5-4-8-24-12-15/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,26,30)
InChIKeyKSCMGGPJOUFLJQ-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.98
Rot. Bonds4

About N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 91952580) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID91952580
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCN1Cc2ccc(NC(=O)c3cnc(N4CCCC4)nc3-c3cccnc3)cc2C1=O
InChIInChI=1S/C23H22N6O2/c1-28-14-16-6-7-17(11-18(16)22(28)31)26-21(30)19-13-25-23(29-9-2-3-10-29)27-20(19)15-5-4-8-24-12-15/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,26,30)
InChIKeyKSCMGGPJOUFLJQ-UHFFFAOYSA-N
XLogP2.98
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952513
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 91952583
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952530
N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952524
N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504382
2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide
CID 91952494
N-(3,4-difluorophenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide
CID 91952635
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
N-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612164
4-methyl-N-(3-nitrophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504375

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 91952580) is N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CN1Cc2ccc(NC(=O)c3cnc(N4CCCC4)nc3-c3cccnc3)cc2C1=O.
What is the InChIKey of N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is KSCMGGPJOUFLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-28-14-16-6-7-17(11-18(16)22(28)31)26-21(30)19-13-25-23(29-9-2-3-10-29)27-20(19)15-5-4-8-24-12-15/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,26,30).
What are the key properties of N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91952580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).