N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

C25H30N4OS — CID 1034332

IUPACN-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCCN1CCN(C(c2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)CC1
InChIInChI=1S/C25H30N4OS/c1-4-28-14-16-29(17-15-28)23(21-12-8-9-13-26-21)22-18(2)19(3)31-25(22)27-24(30)20-10-6-5-7-11-20/h5-13,23H,4,14-17H2,1-3H3,(H,27,30)
InChIKeyPMNWGMNJCRIDQV-UHFFFAOYSA-N
MW434.61 g/mol
LogP4.74
Rot. Bonds6

About N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 1034332) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID1034332
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC NameN-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCCN1CCN(C(c2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)CC1
InChIInChI=1S/C25H30N4OS/c1-4-28-14-16-29(17-15-28)23(21-12-8-9-13-26-21)22-18(2)19(3)31-25(22)27-24(30)20-10-6-5-7-11-20/h5-13,23H,4,14-17H2,1-3H3,(H,27,30)
InChIKeyPMNWGMNJCRIDQV-UHFFFAOYSA-N
XLogP4.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 46740463
ethyl 4-[(2-benzamido-4,5-dimethylthiophen-3-yl)-pyridin-4-ylmethyl]piperazine-1-carboxylate
CID 3453408
ethyl 4-[(S)-(2-benzamido-4,5-dimethylthiophen-3-yl)-pyridin-4-ylmethyl]piperazine-1-carboxylate
CID 1034337
N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]thiophen-2-yl]benzamide
CID 4128134
N-[3-[(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4671763
ethyl 1-[(2-benzamido-4,5-dimethylthiophen-3-yl)-pyridin-4-ylmethyl]piperidine-4-carboxylate
CID 4128132
N-[3-[(S)-(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416567
N-[3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1178736
N-[3-[(2-chlorophenyl)-piperidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 5236795
N-[3-[(4-chlorophenyl)-pyrrolidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4672995
methyl 4-[(S)-(2-acetamido-4,5-dimethylthiophen-3-yl)-(4-ethylpiperazin-1-yl)methyl]benzoate
CID 8831646
N-[3-[(4-ethylpiperazin-1-yl)-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 46740482

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 1034332) is N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is CCN1CCN(C(c2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)CC1.
What is the InChIKey of N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is PMNWGMNJCRIDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS/c1-4-28-14-16-29(17-15-28)23(21-12-8-9-13-26-21)22-18(2)19(3)31-25(22)27-24(30)20-10-6-5-7-11-20/h5-13,23H,4,14-17H2,1-3H3,(H,27,30).
What are the key properties of N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 434.61 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 1034332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).