N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide

C16H17N3O — CID 163408106

IUPACN-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCc1cccc(-c2ccccn2)n1
InChIInChI=1S/C16H17N3O/c1-2-3-10-16(20)18-12-13-7-6-9-15(19-13)14-8-4-5-11-17-14/h2,4-9,11H,1,3,10,12H2,(H,18,20)
InChIKeyMGJCUMBENQJIJV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.73
Rot. Bonds6

About N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide

N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide (PubChem CID 163408106) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide
PubChem CID163408106
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCc1cccc(-c2ccccn2)n1
InChIInChI=1S/C16H17N3O/c1-2-3-10-16(20)18-12-13-7-6-9-15(19-13)14-8-4-5-11-17-14/h2,4-9,11H,1,3,10,12H2,(H,18,20)
InChIKeyMGJCUMBENQJIJV-UHFFFAOYSA-N
XLogP2.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 167890213
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770816
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
2-[2-[carboxymethyl-[2-[[6-[4-(4-methylphenyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-[[6-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 20665024
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide?
The IUPAC name of N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide (CID 163408106) is N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide.
What is the SMILES notation for N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide?
The canonical SMILES for N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide is C=CCCC(=O)NCc1cccc(-c2ccccn2)n1.
What is the InChIKey of N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide?
The InChIKey is MGJCUMBENQJIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-3-10-16(20)18-12-13-7-6-9-15(19-13)14-8-4-5-11-17-14/h2,4-9,11H,1,3,10,12H2,(H,18,20).
What are the key properties of N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide?
N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide has a molecular weight of 267.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide is sourced from PubChem (CID 163408106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).