N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide

C25H22N6O2 — CID 162527491

IUPACN-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESC=C(C#N)CNc1c(OC)ccc2ccc(-c3cc(NC(=O)c4cnn(C)c4)ccn3)cc12
InChIInChI=1S/C25H22N6O2/c1-16(12-26)13-28-24-21-10-18(5-4-17(21)6-7-23(24)33-3)22-11-20(8-9-27-22)30-25(32)19-14-29-31(2)15-19/h4-11,14-15,28H,1,13H2,2-3H3,(H,27,30,32)
InChIKeyIDFDPQGQUZRASV-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.39
Rot. Bonds7

About N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide

N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide (PubChem CID 162527491) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide
PubChem CID162527491
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESC=C(C#N)CNc1c(OC)ccc2ccc(-c3cc(NC(=O)c4cnn(C)c4)ccn3)cc12
InChIInChI=1S/C25H22N6O2/c1-16(12-26)13-28-24-21-10-18(5-4-17(21)6-7-23(24)33-3)22-11-20(8-9-27-22)30-25(32)19-14-29-31(2)15-19/h4-11,14-15,28H,1,13H2,2-3H3,(H,27,30,32)
InChIKeyIDFDPQGQUZRASV-UHFFFAOYSA-N
XLogP4.39
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methylpyridine-4-carboxamide
CID 162527069
2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyrimidine-4-carboxamide
CID 162526559
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-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide
CID 162527594
N-[(1R,3R)-3-acetamidocyclohexyl]-6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide
CID 166914815
methyl 1-(2-cyanoprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxylate
CID 162526568
2-[[[7-(4-formylpyrimidin-2-yl)-2-(2-methoxyethoxy)naphthalen-1-yl]amino]methyl]prop-2-enenitrile;1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine
CID 162527168
tert-butyl N-[7-(4-acetamido-2-pyridinyl)-2-methylnaphthalen-1-yl]-N-(2-cyanoprop-2-enyl)carbamate
CID 162526864
N-[3-[2-(2-cyanoprop-2-enyl)-1-oxo-3H-isoindol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide
CID 162529344
N-[(1S,2S,4S)-2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-(diethylamino)cyclohexyl]pyrimidine-4-carboxamide
CID 167350018
N,1-dimethylpiperidin-4-amine;2-[[[7-(4-formylpyrimidin-2-yl)-2-(methoxymethyl)naphthalen-1-yl]amino]methyl]prop-2-enenitrile
CID 162527877
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
CID 19474706

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide (CID 162527491) is N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide is C=C(C#N)CNc1c(OC)ccc2ccc(-c3cc(NC(=O)c4cnn(C)c4)ccn3)cc12.
What is the InChIKey of N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is IDFDPQGQUZRASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-16(12-26)13-28-24-21-10-18(5-4-17(21)6-7-23(24)33-3)22-11-20(8-9-27-22)30-25(32)19-14-29-31(2)15-19/h4-11,14-15,28H,1,13H2,2-3H3,(H,27,30,32).
What are the key properties of N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide?
N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-4-pyridinyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 162527491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).