N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide

C26H39N3O — CID 174467580

IUPACN-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C26H39N3O/c1-2-3-4-5-6-7-8-9-10-12-20-29-26(30)24-17-15-23(16-18-24)21-27-22-25-14-11-13-19-28-25/h11,13-19,27H,2-10,12,20-22H2,1H3,(H,29,30)
InChIKeyHZHLCKGTCPWNIZ-UHFFFAOYSA-N
MW409.62 g/mol
LogP6.02
Rot. Bonds16

About N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide

N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide (PubChem CID 174467580) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide
PubChem CID174467580
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC NameN-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C26H39N3O/c1-2-3-4-5-6-7-8-9-10-12-20-29-26(30)24-17-15-23(16-18-24)21-27-22-25-14-11-13-19-28-25/h11,13-19,27H,2-10,12,20-22H2,1H3,(H,29,30)
InChIKeyHZHLCKGTCPWNIZ-UHFFFAOYSA-N
XLogP6.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
N-dodecyl-4-[[(4-methylsulfonylphenyl)methylamino]methyl]benzamide
CID 69291989
N-butyl-4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110968809
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 59825992
N-hexyl-4-propylbenzamide
CID 70894310
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide?
The IUPAC name of N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide (CID 174467580) is N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide.
What is the SMILES notation for N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide?
The canonical SMILES for N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide is CCCCCCCCCCCCNC(=O)c1ccc(CNCc2ccccn2)cc1.
What is the InChIKey of N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide?
The InChIKey is HZHLCKGTCPWNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c1-2-3-4-5-6-7-8-9-10-12-20-29-26(30)24-17-15-23(16-18-24)21-27-22-25-14-11-13-19-28-25/h11,13-19,27H,2-10,12,20-22H2,1H3,(H,29,30).
What are the key properties of N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide?
N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide has a molecular weight of 409.62 g/mol, XLogP of 6.02, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 174467580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).