(2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide

C29H30N4O3 — CID 42320037

IUPAC(2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
SMILESCO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3cc(C)ccc3[nH]1)C2)c1ccccc1
InChIInChI=1S/C29H30N4O3/c1-18-9-10-25-21(13-18)14-26(32-25)29(35)33-12-11-23-22(17-33)15-30-19(2)24(23)16-31-28(34)27(36-3)20-7-5-4-6-8-20/h4-10,13-15,27,32H,11-12,16-17H2,1-3H3,(H,31,34)/t27-/m1/s1
InChIKeyKXFXCRUSNHUXFJ-HHHXNRCGSA-N
MW482.58 g/mol
LogP4.38
Rot. Bonds6

About (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide

(2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide (PubChem CID 42320037) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
PubChem CID42320037
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name(2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
SMILESCO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3cc(C)ccc3[nH]1)C2)c1ccccc1
InChIInChI=1S/C29H30N4O3/c1-18-9-10-25-21(13-18)14-26(32-25)29(35)33-12-11-23-22(17-33)15-30-19(2)24(23)16-31-28(34)27(36-3)20-7-5-4-6-8-20/h4-10,13-15,27,32H,11-12,16-17H2,1-3H3,(H,31,34)/t27-/m1/s1
InChIKeyKXFXCRUSNHUXFJ-HHHXNRCGSA-N
XLogP4.38
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide with MolForge

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Related Compounds

N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide
CID 45231173
(2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide
CID 42480367
(2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
CID 26335277
2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
CID 45187486
(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide
CID 99949568
N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
CID 118755862
N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide
CID 74502992
N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
CID 42172125
N-[[3-methyl-7-(thiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenoxypropanamide
CID 26360754
N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 74807639
(E)-N-[[3-methyl-7-(2-pyrrolidin-1-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide
CID 42432655
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide (CID 42320037) is (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide is CO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3cc(C)ccc3[nH]1)C2)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?
The InChIKey is KXFXCRUSNHUXFJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-18-9-10-25-21(13-18)14-26(32-25)29(35)33-12-11-23-22(17-33)15-30-19(2)24(23)16-31-28(34)27(36-3)20-7-5-4-6-8-20/h4-10,13-15,27,32H,11-12,16-17H2,1-3H3,(H,31,34)/t27-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?
(2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide has a molecular weight of 482.58 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[[3-methyl-7-(5-methyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 42320037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).