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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Related Compounds

6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 12017600
6-[[[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]-(pyridin-2-ylmethyl)amino]methyl]-N-[2-(prop-2-enoylamino)ethyl]pyridine-3-carboxamide
CID 59307246
1-hydroxy-1-(pyridin-2-ylmethyl)urea
CID 10374807
4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66427540
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carbonyl]piperazine-1-carboxylic acid
CID 134264032
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
2-[bis[2-[(1-carboxy-2,2-dimethylpropyl)-(pyridin-2-ylmethyl)amino]ethyl]amino]-3,3-dimethylbutanoic acid
CID 67876128

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).