N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide

C29H35N5O4 — CID 46084255

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1OC
InChIInChI=1S/C29H35N5O4/c1-32(2)23-10-8-22(9-11-23)29(36)34-18-16-33(17-19-34)27-24(6-5-14-30-27)28(35)31-15-13-21-7-12-25(37-3)26(20-21)38-4/h5-12,14,20H,13,15-19H2,1-4H3,(H,31,35)
InChIKeyNSYFZCXNYBNXEL-UHFFFAOYSA-N
MW517.63 g/mol
LogP3.10
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 46084255) has the molecular formula C29H35N5O4 and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID46084255
Molecular FormulaC29H35N5O4
Molecular Weight517.63 g/mol
Exact Mass517.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1OC
InChIInChI=1S/C29H35N5O4/c1-32(2)23-10-8-22(9-11-23)29(36)34-18-16-33(17-19-34)27-24(6-5-14-30-27)28(35)31-15-13-21-7-12-25(37-3)26(20-21)38-4/h5-12,14,20H,13,15-19H2,1-4H3,(H,31,35)
InChIKeyNSYFZCXNYBNXEL-UHFFFAOYSA-N
XLogP3.10
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084251
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 46084367
2-[4-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084305
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084256
2-[4-[(6-chloro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084570
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108506303
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)phenoxy]acetamide
CID 71745859

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide (CID 46084255) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is NSYFZCXNYBNXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4/c1-32(2)23-10-8-22(9-11-23)29(36)34-18-16-33(17-19-34)27-24(6-5-14-30-27)28(35)31-15-13-21-7-12-25(37-3)26(20-21)38-4/h5-12,14,20H,13,15-19H2,1-4H3,(H,31,35).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 517.63 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46084255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).