2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

C25H26N4O3 — CID 92637229

IUPAC2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1
InChIInChI=1S/C25H26N4O3/c1-17-21(25(31)28-19-7-4-3-5-8-19)16-26-24(27-17)22-9-6-14-29(22)23(30)15-18-10-12-20(32-2)13-11-18/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3,(H,28,31)/t22-/m0/s1
InChIKeyAIVPKZGXTCQZHF-QFIPXVFZSA-N
MW430.51 g/mol
LogP3.95
Rot. Bonds6

About 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 92637229) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID92637229
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1
InChIInChI=1S/C25H26N4O3/c1-17-21(25(31)28-19-7-4-3-5-8-19)16-26-24(27-17)22-9-6-14-29(22)23(30)15-18-10-12-20(32-2)13-11-18/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3,(H,28,31)/t22-/m0/s1
InChIKeyAIVPKZGXTCQZHF-QFIPXVFZSA-N
XLogP3.95
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
2-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247543
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637215
2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92637216
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636755
4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110084518
4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110247436

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (CID 92637229) is 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is COc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1.
What is the InChIKey of 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is AIVPKZGXTCQZHF-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17-21(25(31)28-19-7-4-3-5-8-19)16-26-24(27-17)22-9-6-14-29(22)23(30)15-18-10-12-20(32-2)13-11-18/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3,(H,28,31)/t22-/m0/s1.
What are the key properties of 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92637229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).