1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile

C23H26N6O2 — CID 177195444

IUPAC1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile
SMILESCN[C@@H]1CCN(c2cc3c(C#N)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)C1
InChIInChI=1S/C23H26N6O2/c1-13-5-6-18(30-4)14(2)21(13)31-23-20-17(15(10-24)11-27-22(20)25)9-19(28-23)29-8-7-16(12-29)26-3/h5-6,9,11,16,26H,7-8,12H2,1-4H3,(H2,25,27)/t16-/m1/s1
InChIKeyOKAIVHVPCSWDQV-MRXNPFEDSA-N
MW418.50 g/mol
LogP3.30
Rot. Bonds5

About 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile

1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile (PubChem CID 177195444) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile
PubChem CID177195444
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile
SMILESCN[C@@H]1CCN(c2cc3c(C#N)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)C1
InChIInChI=1S/C23H26N6O2/c1-13-5-6-18(30-4)14(2)21(13)31-23-20-17(15(10-24)11-27-22(20)25)9-19(28-23)29-8-7-16(12-29)26-3/h5-6,9,11,16,26H,7-8,12H2,1-4H3,(H2,25,27)/t16-/m1/s1
InChIKeyOKAIVHVPCSWDQV-MRXNPFEDSA-N
XLogP3.30
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N6-[(2,4,6-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479414
N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
CID 3232747
N-[(2,4-dimethoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine
CID 3233590
3-[4-[(2,4-Dimethoxyphenyl)methylamino]pyrimidin-2-yl]benzonitrile
CID 3234553
6-Methyl-7-[3-(4-methylpiperazin-1-yl)-propoxy]-4-(pyridin-2-ylamino)-quinoline-3-carbonitrile
CID 44586518
4-[[2-[(1-Benzylpiperidin-4-yl)amino]-6-methoxy-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 134137188
4-[[2-Methoxy-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 134141554
US9872852, Example 166
CID 117941695
4-[[5-Amino-6-[[1-(4-pyridylmethyl)-4-piperidyl]amino]-2-pyridyl]oxy]-3,5-dimethyl-benzonitrile
CID 71695695
4-[(1S)-1-[[8-(3-fluorophenoxy)-2,7-naphthyridin-1-yl]amino]ethyl]benzonitrile
CID 118888067
8-[(3R)-2-amino-1-fluoroheptan-3-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122585195
4-N-[(3R)-2-amino-1-fluoroheptan-3-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598743

Frequently Asked Questions

What is the IUPAC name of 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile (CID 177195444) is 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile is CN[C@@H]1CCN(c2cc3c(C#N)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)C1.
What is the InChIKey of 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile?
The InChIKey is OKAIVHVPCSWDQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-13-5-6-18(30-4)14(2)21(13)31-23-20-17(15(10-24)11-27-22(20)25)9-19(28-23)29-8-7-16(12-29)26-3/h5-6,9,11,16,26H,7-8,12H2,1-4H3,(H2,25,27)/t16-/m1/s1.
What are the key properties of 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile?
1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile has a molecular weight of 418.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 177195444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).