2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide

C23H33N5O — CID 11728975

IUPAC2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1nc(N2CCN(C)CC2)ccc1N)C(C)C
InChIInChI=1S/C23H33N5O/c1-16(2)28(17(3)4)23(29)19-9-7-6-8-18(19)22-20(24)10-11-21(25-22)27-14-12-26(5)13-15-27/h6-11,16-17H,12-15,24H2,1-5H3
InChIKeyAJDXXOLSBAYONR-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.34
Rot. Bonds5

About 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide

2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 11728975) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide
PubChem CID11728975
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1nc(N2CCN(C)CC2)ccc1N)C(C)C
InChIInChI=1S/C23H33N5O/c1-16(2)28(17(3)4)23(29)19-9-7-6-8-18(19)22-20(24)10-11-21(25-22)27-14-12-26(5)13-15-27/h6-11,16-17H,12-15,24H2,1-5H3
InChIKeyAJDXXOLSBAYONR-UHFFFAOYSA-N
XLogP3.34
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide
CID 74243884
2,3-diamino-N,N-di(propan-2-yl)benzamide
CID 54534997
N-[1-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyimino-2-phenylethylidene]hydroxylamine
CID 135402113
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
CID 19166734
N,N-di(propan-2-yl)-2-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 24754039
6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 122571829
3-amino-2-(4-methylpiperazin-1-yl)benzoic acid
CID 84698678
(3E)-3-(1-aminoethylidene)-5-(2-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrido[3,2-e][1,4]diazepin-2-amine
CID 142373349
methyl 4-[[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]oxy]benzoate
CID 118252985
N,N-di(propan-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 72868876
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 143961926

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide (CID 11728975) is 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1-c1nc(N2CCN(C)CC2)ccc1N)C(C)C.
What is the InChIKey of 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is AJDXXOLSBAYONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-16(2)28(17(3)4)23(29)19-9-7-6-8-18(19)22-20(24)10-11-21(25-22)27-14-12-26(5)13-15-27/h6-11,16-17H,12-15,24H2,1-5H3.
What are the key properties of 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide?
2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 395.55 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 11728975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).