N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide

C17H22N4O — CID 82331250

IUPACN-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide
SMILESCc1ccc(N)c(NCCCNC(=O)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-13-8-9-15(18)17(21-13)20-11-5-10-19-16(22)12-14-6-3-2-4-7-14/h2-4,6-9H,5,10-12,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyGTCANJYCWGELBE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.13
Rot. Bonds7

About N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide

N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide (PubChem CID 82331250) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide
PubChem CID82331250
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide
SMILESCc1ccc(N)c(NCCCNC(=O)Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-13-8-9-15(18)17(21-13)20-11-5-10-19-16(22)12-14-6-3-2-4-7-14/h2-4,6-9H,5,10-12,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyGTCANJYCWGELBE-UHFFFAOYSA-N
XLogP2.13
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.13
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

6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
CID 81133138
N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide
CID 82331581
N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 82331245
N-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 79021592
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
ethyl 4-[(3-amino-6-methyl-2-pyridinyl)amino]butanoate
CID 81132121
5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
CID 82057663
2-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
CID 106234320
2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 81132077
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide?
The IUPAC name of N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide (CID 82331250) is N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide is Cc1ccc(N)c(NCCCNC(=O)Cc2ccccc2)n1.
What is the InChIKey of N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide?
The InChIKey is GTCANJYCWGELBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-8-9-15(18)17(21-13)20-11-5-10-19-16(22)12-14-6-3-2-4-7-14/h2-4,6-9H,5,10-12,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide?
N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide is sourced from PubChem (CID 82331250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).