N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C25H29N5O3 — CID 92637598

IUPACN-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C25H29N5O3/c1-29-17-20(24(31)27-16-19-7-3-4-9-23(19)33-2)22(28-29)15-18-10-13-30(14-11-18)25(32)21-8-5-6-12-26-21/h3-9,12,17-18H,10-11,13-16H2,1-2H3,(H,27,31)
InChIKeyDRPDZUHYJXCFAQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.85
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 92637598) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID92637598
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C25H29N5O3/c1-29-17-20(24(31)27-16-19-7-3-4-9-23(19)33-2)22(28-29)15-18-10-13-30(14-11-18)25(32)21-8-5-6-12-26-21/h3-9,12,17-18H,10-11,13-16H2,1-2H3,(H,27,31)
InChIKeyDRPDZUHYJXCFAQ-UHFFFAOYSA-N
XLogP2.85
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636604
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92638073
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636739
3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 92637469
N-[(2-methoxyphenyl)methyl]-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92637848
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938
4-[[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 92637692
N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637488
3-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 53142922
N-[(2-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142623
N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637454

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 92637598) is N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is DRPDZUHYJXCFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-29-17-20(24(31)27-16-19-7-3-4-9-23(19)33-2)22(28-29)15-18-10-13-30(14-11-18)25(32)21-8-5-6-12-26-21/h3-9,12,17-18H,10-11,13-16H2,1-2H3,(H,27,31).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 92637598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).