N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide

C26H28ClN5O3 — CID 46084656

IUPACN-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)Nc3cc(C)ccc3Cl)CC2)cc1
InChIInChI=1S/C26H28ClN5O3/c1-18-5-10-22(27)23(16-18)30-26(34)32-14-12-31(13-15-32)24-21(4-3-11-28-24)25(33)29-17-19-6-8-20(35-2)9-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyCKGCNCWDKZAAKK-UHFFFAOYSA-N
MW494.00 g/mol
LogP4.34
Rot. Bonds6

About N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide

N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 46084656) has the molecular formula C26H28ClN5O3 and a molecular weight of 494.00 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID46084656
Molecular FormulaC26H28ClN5O3
Molecular Weight494.00 g/mol
Exact Mass493.19
IUPAC NameN-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)Nc3cc(C)ccc3Cl)CC2)cc1
InChIInChI=1S/C26H28ClN5O3/c1-18-5-10-22(27)23(16-18)30-26(34)32-14-12-31(13-15-32)24-21(4-3-11-28-24)25(33)29-17-19-6-8-20(35-2)9-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyCKGCNCWDKZAAKK-UHFFFAOYSA-N
XLogP4.34
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.00
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 46084660
ethyl 4-[[4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carbonyl]amino]butanoate
CID 46084667
N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 46084391
[(2S)-1-[4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazin-1-yl]-1-oxopropan-2-yl] acetate
CID 46084330
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180638
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide
CID 20956100
N-[(3-methoxyphenyl)methyl]-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92761216
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide (CID 46084656) is N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)Nc3cc(C)ccc3Cl)CC2)cc1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is CKGCNCWDKZAAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3/c1-18-5-10-22(27)23(16-18)30-26(34)32-14-12-31(13-15-32)24-21(4-3-11-28-24)25(33)29-17-19-6-8-20(35-2)9-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 494.00 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 46084656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).