N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide

C28H38N8O2 — CID 139836900

IUPACN-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3c(ccn3C(=O)N3CCN(c4ncccc4NC(C)(C)C)CC3)c2)CC1
InChIInChI=1S/C28H38N8O2/c1-28(2,3)31-23-6-5-10-29-25(23)33-16-18-35(19-17-33)27(38)36-11-9-21-20-22(7-8-24(21)36)30-26(37)34-14-12-32(4)13-15-34/h5-11,20,31H,12-19H2,1-4H3,(H,30,37)
InChIKeyOQWPXWPCPFBSIZ-UHFFFAOYSA-N
MW518.67 g/mol
LogP3.82
Rot. Bonds3

About N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide

N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 139836900) has the molecular formula C28H38N8O2 and a molecular weight of 518.67 g/mol. Its IUPAC name is N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide
PubChem CID139836900
Molecular FormulaC28H38N8O2
Molecular Weight518.67 g/mol
Exact Mass518.31
IUPAC NameN-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3c(ccn3C(=O)N3CCN(c4ncccc4NC(C)(C)C)CC3)c2)CC1
InChIInChI=1S/C28H38N8O2/c1-28(2,3)31-23-6-5-10-29-25(23)33-16-18-35(19-17-33)27(38)36-11-9-21-20-22(7-8-24(21)36)30-26(37)34-14-12-32(4)13-15-34/h5-11,20,31H,12-19H2,1-4H3,(H,30,37)
InChIKeyOQWPXWPCPFBSIZ-UHFFFAOYSA-N
XLogP3.82
TPSA88.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019972
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
N-(4-ethylphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274086
N-(3,5-dimethoxyphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274079
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
3,4,5-trimethyl-N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]piperazine-1-carboxamide
CID 21477610
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 86809385

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide (CID 139836900) is N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc3c(ccn3C(=O)N3CCN(c4ncccc4NC(C)(C)C)CC3)c2)CC1.
What is the InChIKey of N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is OQWPXWPCPFBSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N8O2/c1-28(2,3)31-23-6-5-10-29-25(23)33-16-18-35(19-17-33)27(38)36-11-9-21-20-22(7-8-24(21)36)30-26(37)34-14-12-32(4)13-15-34/h5-11,20,31H,12-19H2,1-4H3,(H,30,37).
What are the key properties of N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide?
N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 518.67 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(tert-butylamino)-2-pyridinyl]piperazine-1-carbonyl]indol-5-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 139836900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).