N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide

C22H24N6O3 — CID 110247400

IUPACN-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(C2CCCN2C(=O)Cn2cccn2)nc1C
InChIInChI=1S/C22H24N6O3/c1-15-16(22(30)26-17-7-3-4-9-19(17)31-2)13-23-21(25-15)18-8-5-12-28(18)20(29)14-27-11-6-10-24-27/h3-4,6-7,9-11,13,18H,5,8,12,14H2,1-2H3,(H,26,30)
InChIKeyNBKMDAAAMCIKMU-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.61
Rot. Bonds6

About N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 110247400) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
PubChem CID110247400
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(C2CCCN2C(=O)Cn2cccn2)nc1C
InChIInChI=1S/C22H24N6O3/c1-15-16(22(30)26-17-7-3-4-9-19(17)31-2)13-23-21(25-15)18-8-5-12-28(18)20(29)14-27-11-6-10-24-27/h3-4,6-7,9-11,13,18H,5,8,12,14H2,1-2H3,(H,26,30)
InChIKeyNBKMDAAAMCIKMU-UHFFFAOYSA-N
XLogP2.61
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636526
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636493
N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637184
N-(2-methoxyphenyl)-4-methyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110084558
N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637215
N-(2-methoxyphenyl)-4-methyl-2-(1-propanoylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110084783
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636501
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide (CID 110247400) is N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(C2CCCN2C(=O)Cn2cccn2)nc1C.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is NBKMDAAAMCIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-15-16(22(30)26-17-7-3-4-9-19(17)31-2)13-23-21(25-15)18-8-5-12-28(18)20(29)14-27-11-6-10-24-27/h3-4,6-7,9-11,13,18H,5,8,12,14H2,1-2H3,(H,26,30).
What are the key properties of N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110247400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).