2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide

C22H20N4O2 — CID 162527069

IUPAC2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide
SMILESC=C(C#N)CNc1c(OC)ccc2ccc(-c3cc(C(=O)NC)ccn3)cc12
InChIInChI=1S/C22H20N4O2/c1-14(12-23)13-26-21-18-10-16(5-4-15(18)6-7-20(21)28-3)19-11-17(8-9-25-19)22(27)24-2/h4-11,26H,1,13H2,2-3H3,(H,24,27)
InChIKeyZUSMYRYIILOBNL-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.76
Rot. Bonds6

About 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide

2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide (PubChem CID 162527069) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide
PubChem CID162527069
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide
SMILESC=C(C#N)CNc1c(OC)ccc2ccc(-c3cc(C(=O)NC)ccn3)cc12
InChIInChI=1S/C22H20N4O2/c1-14(12-23)13-26-21-18-10-16(5-4-15(18)6-7-20(21)28-3)19-11-17(8-9-25-19)22(27)24-2/h4-11,26H,1,13H2,2-3H3,(H,24,27)
InChIKeyZUSMYRYIILOBNL-UHFFFAOYSA-N
XLogP3.76
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyrimidine-4-carboxamide
CID 162526559
N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 162527491
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 162526582
3-methoxypropanal;2-[[[7-[4-(methylamino)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]amino]methyl]prop-2-enenitrile
CID 162527792
4-amino-6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 162526989
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 162528123
N-[(1R,3R)-3-acetamidocyclohexyl]-6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide
CID 166914815
2-[[[7-(4-amino-3-methylsulfonylphenyl)-2-methoxynaphthalen-1-yl]amino]methyl]prop-2-enenitrile
CID 166914813
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[(3S)-1-methylpiperidin-3-yl]pyridine-2-carboxamide
CID 162527301
2-[[[2-(methoxymethyl)-7-pyridin-2-ylnaphthalen-1-yl]amino]methyl]prop-2-enenitrile
CID 162527101
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide
CID 162527594
3-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[4-(3-methoxypropylamino)cyclohexyl]pyridine-2-carboxamide
CID 167350048

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide (CID 162527069) is 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide is C=C(C#N)CNc1c(OC)ccc2ccc(-c3cc(C(=O)NC)ccn3)cc12.
What is the InChIKey of 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide?
The InChIKey is ZUSMYRYIILOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14(12-23)13-26-21-18-10-16(5-4-15(18)6-7-20(21)28-3)19-11-17(8-9-25-19)22(27)24-2/h4-11,26H,1,13H2,2-3H3,(H,24,27).
What are the key properties of 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide?
2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 162527069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).