4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide

C17H21N5O2 — CID 167951786

IUPAC4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc(N)nc1
InChIInChI=1S/C17H21N5O2/c1-11(22(2)10-12-3-8-15(18)20-9-12)17(24)21-14-6-4-13(5-7-14)16(19)23/h3-9,11H,10H2,1-2H3,(H2,18,20)(H2,19,23)(H,21,24)
InChIKeyBEQCDFUHOZGHSK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.22
Rot. Bonds6

About 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide

4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide (PubChem CID 167951786) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
PubChem CID167951786
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc(N)nc1
InChIInChI=1S/C17H21N5O2/c1-11(22(2)10-12-3-8-15(18)20-9-12)17(24)21-14-6-4-13(5-7-14)16(19)23/h3-9,11H,10H2,1-2H3,(H2,18,20)(H2,19,23)(H,21,24)
InChIKeyBEQCDFUHOZGHSK-UHFFFAOYSA-N
XLogP1.22
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
CID 17424194
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 9054222
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
4-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide
CID 8767331
4-[[(2R)-2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 96541344
3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 104870323
2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554394
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide?
The IUPAC name of 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide (CID 167951786) is 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide is CC(C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc(N)nc1.
What is the InChIKey of 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide?
The InChIKey is BEQCDFUHOZGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(22(2)10-12-3-8-15(18)20-9-12)17(24)21-14-6-4-13(5-7-14)16(19)23/h3-9,11H,10H2,1-2H3,(H2,18,20)(H2,19,23)(H,21,24).
What are the key properties of 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide?
4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide has a molecular weight of 327.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide is sourced from PubChem (CID 167951786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).