N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide

C29H30ClN5O2 — CID 10481649

IUPACN-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1N1CCN(Cc2cc(C)n(NC(=O)c3ccncc3)c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C29H30ClN5O2/c1-21-19-24(20-33-15-17-34(18-16-33)26-5-3-4-6-27(26)37-2)28(22-7-9-25(30)10-8-22)35(21)32-29(36)23-11-13-31-14-12-23/h3-14,19H,15-18,20H2,1-2H3,(H,32,36)
InChIKeyPLACUEZRLMZBEI-UHFFFAOYSA-N
MW516.05 g/mol
LogP5.23
Rot. Bonds7

About N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide

N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide (PubChem CID 10481649) has the molecular formula C29H30ClN5O2 and a molecular weight of 516.05 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide
PubChem CID10481649
Molecular FormulaC29H30ClN5O2
Molecular Weight516.05 g/mol
Exact Mass515.21
IUPAC NameN-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1N1CCN(Cc2cc(C)n(NC(=O)c3ccncc3)c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C29H30ClN5O2/c1-21-19-24(20-33-15-17-34(18-16-33)26-5-3-4-6-27(26)37-2)28(22-7-9-25(30)10-8-22)35(21)32-29(36)23-11-13-31-14-12-23/h3-14,19H,15-18,20H2,1-2H3,(H,32,36)
InChIKeyPLACUEZRLMZBEI-UHFFFAOYSA-N
XLogP5.23
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.05
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylpyrrol-2-yl]pyrazine-2-carboxamide
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4-(2-methoxyphenyl)-N-(1-pyridin-4-ylethenyl)piperazin-1-amine
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5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 46362988
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46043442
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653668
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687213
5-chloro-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]benzonitrile
CID 133286179
1-(4-chlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335597
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide (CID 10481649) is N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide is COc1ccccc1N1CCN(Cc2cc(C)n(NC(=O)c3ccncc3)c2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide?
The InChIKey is PLACUEZRLMZBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN5O2/c1-21-19-24(20-33-15-17-34(18-16-33)26-5-3-4-6-27(26)37-2)28(22-7-9-25(30)10-8-22)35(21)32-29(36)23-11-13-31-14-12-23/h3-14,19H,15-18,20H2,1-2H3,(H,32,36).
What are the key properties of N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide?
N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide has a molecular weight of 516.05 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylpyrrol-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 10481649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).