6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide

C20H24N4O — CID 102576815

IUPAC6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
SMILESC=CCC(CC=C)N(Cc1ccccn1)Cc1ccc(C(N)=O)cn1
InChIInChI=1S/C20H24N4O/c1-3-7-19(8-4-2)24(14-17-9-5-6-12-22-17)15-18-11-10-16(13-23-18)20(21)25/h3-6,9-13,19H,1-2,7-8,14-15H2,(H2,21,25)
InChIKeyYFPIMRZMKASXLT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.10
Rot. Bonds10

About 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide

6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide (PubChem CID 102576815) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
PubChem CID102576815
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
SMILESC=CCC(CC=C)N(Cc1ccccn1)Cc1ccc(C(N)=O)cn1
InChIInChI=1S/C20H24N4O/c1-3-7-19(8-4-2)24(14-17-9-5-6-12-22-17)15-18-11-10-16(13-23-18)20(21)25/h3-6,9-13,19H,1-2,7-8,14-15H2,(H2,21,25)
InChIKeyYFPIMRZMKASXLT-UHFFFAOYSA-N
XLogP3.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide (CID 102576815) is 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide is C=CCC(CC=C)N(Cc1ccccn1)Cc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide?
The InChIKey is YFPIMRZMKASXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-7-19(8-4-2)24(14-17-9-5-6-12-22-17)15-18-11-10-16(13-23-18)20(21)25/h3-6,9-13,19H,1-2,7-8,14-15H2,(H2,21,25).
What are the key properties of 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide?
6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[hepta-1,6-dien-4-yl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 102576815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).