N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide

C20H27N5O2 — CID 55819545

IUPACN-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide
SMILESCN(C)c1ccc(CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cn1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)24-18(26)15-7-6-8-16(11-15)23-19(27)22-13-14-9-10-17(21-12-14)25(4)5/h6-12H,13H2,1-5H3,(H,24,26)(H2,22,23,27)
InChIKeyITFYLUCXXUMCFD-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.00
Rot. Bonds5

About N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide

N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide (PubChem CID 55819545) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide
PubChem CID55819545
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide
SMILESCN(C)c1ccc(CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cn1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)24-18(26)15-7-6-8-16(11-15)23-19(27)22-13-14-9-10-17(21-12-14)25(4)5/h6-12H,13H2,1-5H3,(H,24,26)(H2,22,23,27)
InChIKeyITFYLUCXXUMCFD-UHFFFAOYSA-N
XLogP3.00
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55852480
3-(2-benzamidoethylcarbamoylamino)-N-tert-butylbenzamide
CID 55820315
1-[4-(benzenesulfonyl)phenyl]-3-[[6-(dimethylamino)-3-pyridinyl]methyl]urea
CID 66614451
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 55621111
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
3-[3-[[3-(tert-butylcarbamoyl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122076648
N-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methylamino]benzamide
CID 110006542
N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide
CID 75456654
N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
CID 87006555
1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911313
N-tert-butyl-3-(prop-2-enylcarbamothioylamino)benzamide
CID 28639567
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide?
The IUPAC name of N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide (CID 55819545) is N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide is CN(C)c1ccc(CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cn1.
What is the InChIKey of N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide?
The InChIKey is ITFYLUCXXUMCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-20(2,3)24-18(26)15-7-6-8-16(11-15)23-19(27)22-13-14-9-10-17(21-12-14)25(4)5/h6-12H,13H2,1-5H3,(H,24,26)(H2,22,23,27).
What are the key properties of N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide?
N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzamide is sourced from PubChem (CID 55819545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).