N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide

C27H29N5O — CID 31007808

IUPACN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide
SMILESCN1CCN(c2ccc(CNC(=O)Cn3c(-c4ccccc4)cc4ccccc43)cn2)CC1
InChIInChI=1S/C27H29N5O/c1-30-13-15-31(16-14-30)26-12-11-21(18-28-26)19-29-27(33)20-32-24-10-6-5-9-23(24)17-25(32)22-7-3-2-4-8-22/h2-12,17-18H,13-16,19-20H2,1H3,(H,29,33)
InChIKeyBPFCXPMLIXFLBR-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.77
Rot. Bonds6

About N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide (PubChem CID 31007808) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide
PubChem CID31007808
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide
SMILESCN1CCN(c2ccc(CNC(=O)Cn3c(-c4ccccc4)cc4ccccc43)cn2)CC1
InChIInChI=1S/C27H29N5O/c1-30-13-15-31(16-14-30)26-12-11-21(18-28-26)19-29-27(33)20-32-24-10-6-5-9-23(24)17-25(32)22-7-3-2-4-8-22/h2-12,17-18H,13-16,19-20H2,1H3,(H,29,33)
InChIKeyBPFCXPMLIXFLBR-UHFFFAOYSA-N
XLogP3.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703
1-benzyl-2-methyl-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110954761
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 55973405
2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31008067
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 24607567
2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
CID 30659242
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
CID 119901240
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
1-(3,5-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986935
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46476743
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745515
1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 51084129

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide?
The IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide (CID 31007808) is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide.
What is the SMILES notation for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide?
The canonical SMILES for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide is CN1CCN(c2ccc(CNC(=O)Cn3c(-c4ccccc4)cc4ccccc43)cn2)CC1.
What is the InChIKey of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide?
The InChIKey is BPFCXPMLIXFLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-30-13-15-31(16-14-30)26-12-11-21(18-28-26)19-29-27(33)20-32-24-10-6-5-9-23(24)17-25(32)22-7-3-2-4-8-22/h2-12,17-18H,13-16,19-20H2,1H3,(H,29,33).
What are the key properties of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide?
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide is sourced from PubChem (CID 31007808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).