7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide

C22H22N6O2 — CID 73389105

IUPAC7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1cc2nc(C(=O)N(C)C)ccc2cn1
InChIInChI=1S/C22H22N6O2/c1-27(2)22(29)18-8-6-15-11-23-21(10-19(15)25-18)26-17-7-5-14(9-20(17)30-4)16-12-24-28(3)13-16/h5-13H,1-4H3,(H,23,26)
InChIKeyGTTWRCOYBHMKKR-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.48
Rot. Bonds5

About 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide

7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide (PubChem CID 73389105) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide
PubChem CID73389105
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1cc2nc(C(=O)N(C)C)ccc2cn1
InChIInChI=1S/C22H22N6O2/c1-27(2)22(29)18-8-6-15-11-23-21(10-19(15)25-18)26-17-7-5-14(9-20(17)30-4)16-12-24-28(3)13-16/h5-13H,1-4H3,(H,23,26)
InChIKeyGTTWRCOYBHMKKR-UHFFFAOYSA-N
XLogP3.48
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Indole-2-carboxamide, N-(4-(1-(trans-4-(4-acetyl-1-piperazinyl)cyclohexyl)-4-amino-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-
CID 9549184
N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
Pyrazolo[3,4-d]pyrimidine 5
CID 6539956
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386768
8-N-cyclohexyl-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386878
N2-(4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 90000938
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
N-(4-(1-(1-(1-acetylpiperidin-4-yl)piperidin-4-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
CID 22346679
N-(4-(4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
CID 44432315
1-[4-[4-[7-Amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760411

Frequently Asked Questions

What is the IUPAC name of 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide (CID 73389105) is 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide is COc1cc(-c2cnn(C)c2)ccc1Nc1cc2nc(C(=O)N(C)C)ccc2cn1.
What is the InChIKey of 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide?
The InChIKey is GTTWRCOYBHMKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-27(2)22(29)18-8-6-15-11-23-21(10-19(15)25-18)26-17-7-5-14(9-20(17)30-4)16-12-24-28(3)13-16/h5-13H,1-4H3,(H,23,26).
What are the key properties of 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide?
7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-N,N-dimethyl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 73389105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).