N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide

C19H26N4O — CID 154663610

IUPACN-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(NCc2ccncc2)cc1N
InChIInChI=1S/C19H26N4O/c1-2-3-4-5-6-19(24)23-18-8-7-16(13-17(18)20)22-14-15-9-11-21-12-10-15/h7-13,22H,2-6,14,20H2,1H3,(H,23,24)
InChIKeyIPUIXILHVOPDDR-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.18
Rot. Bonds9

About N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide

N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide (PubChem CID 154663610) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide.

Molecular Properties

Compound NameN-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide
PubChem CID154663610
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(NCc2ccncc2)cc1N
InChIInChI=1S/C19H26N4O/c1-2-3-4-5-6-19(24)23-18-8-7-16(13-17(18)20)22-14-15-9-11-21-12-10-15/h7-13,22H,2-6,14,20H2,1H3,(H,23,24)
InChIKeyIPUIXILHVOPDDR-UHFFFAOYSA-N
XLogP4.18
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide?
The IUPAC name of N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide (CID 154663610) is N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide.
What is the SMILES notation for N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide?
The canonical SMILES for N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(NCc2ccncc2)cc1N.
What is the InChIKey of N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide?
The InChIKey is IPUIXILHVOPDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-3-4-5-6-19(24)23-18-8-7-16(13-17(18)20)22-14-15-9-11-21-12-10-15/h7-13,22H,2-6,14,20H2,1H3,(H,23,24).
What are the key properties of N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide?
N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide has a molecular weight of 326.44 g/mol, XLogP of 4.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(pyridin-4-ylmethylamino)phenyl]heptanamide is sourced from PubChem (CID 154663610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).