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

C23H28N6O2 — CID 110247517

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCCN2Cc2cnn(C)c2)nc1C
InChIInChI=1S/C23H28N6O2/c1-16-19(23(30)25-12-18-7-4-5-9-21(18)31-3)13-24-22(27-16)20-8-6-10-29(20)15-17-11-26-28(2)14-17/h4-5,7,9,11,13-14,20H,6,8,10,12,15H2,1-3H3,(H,25,30)
InChIKeyIEYVQNUCQKRCQJ-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.79
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 110247517) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
PubChem CID110247517
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCCN2Cc2cnn(C)c2)nc1C
InChIInChI=1S/C23H28N6O2/c1-16-19(23(30)25-12-18-7-4-5-9-21(18)31-3)13-24-22(27-16)20-8-6-10-29(20)15-17-11-26-28(2)14-17/h4-5,7,9,11,13-14,20H,6,8,10,12,15H2,1-3H3,(H,25,30)
InChIKeyIEYVQNUCQKRCQJ-UHFFFAOYSA-N
XLogP2.79
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247512
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639611
2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 175659966
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 95805899
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 125004401
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92640390
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92640366
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide (CID 110247517) is N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc(C2CCCN2Cc2cnn(C)c2)nc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is IEYVQNUCQKRCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-19(23(30)25-12-18-7-4-5-9-21(18)31-3)13-24-22(27-16)20-8-6-10-29(20)15-17-11-26-28(2)14-17/h4-5,7,9,11,13-14,20H,6,8,10,12,15H2,1-3H3,(H,25,30).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110247517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).