N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide

C17H22N4O — CID 82331662

IUPACN-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCNc2ccc(N)nc2)cc1C
InChIInChI=1S/C17H22N4O/c1-12-4-5-14(10-13(12)2)17(22)20-9-3-8-19-15-6-7-16(18)21-11-15/h4-7,10-11,19H,3,8-9H2,1-2H3,(H2,18,21)(H,20,22)
InChIKeyYYMJWWRVXLEKKK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.51
Rot. Bonds6

About N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide

N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide (PubChem CID 82331662) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide
PubChem CID82331662
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCNc2ccc(N)nc2)cc1C
InChIInChI=1S/C17H22N4O/c1-12-4-5-14(10-13(12)2)17(22)20-9-3-8-19-15-6-7-16(18)21-11-15/h4-7,10-11,19H,3,8-9H2,1-2H3,(H2,18,21)(H,20,22)
InChIKeyYYMJWWRVXLEKKK-UHFFFAOYSA-N
XLogP2.51
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 82331694
N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide
CID 82331648
N-(6-amino-3-pyridinyl)-N,3,4-trimethylbenzamide
CID 115268424
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175
N-hexyl-3,4-dimethylbenzamide
CID 4523484
4-[(6-amino-3-pyridinyl)amino]butanoic acid
CID 117044632
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane
CID 143414160
N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide
CID 82331650
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide (CID 82331662) is N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCNc2ccc(N)nc2)cc1C.
What is the InChIKey of N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide?
The InChIKey is YYMJWWRVXLEKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-4-5-14(10-13(12)2)17(22)20-9-3-8-19-15-6-7-16(18)21-11-15/h4-7,10-11,19H,3,8-9H2,1-2H3,(H2,18,21)(H,20,22).
What are the key properties of N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide?
N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 82331662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).