1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

C24H30N4O2 — CID 85472426

IUPAC1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCOCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1
InChIInChI=1S/C24H30N4O2/c1-16-22(25-19-6-4-3-5-7-19)23-20(28(17(2)29)24(16)18-8-9-18)10-11-21(26-23)27-12-14-30-15-13-27/h3-7,10-11,16,18,22,24-25H,8-9,12-15H2,1-2H3/t16-,22-,24-/m1/s1
InChIKeyVNHSYGQTRCSLFX-OHOZJJFFSA-N
MW406.53 g/mol
LogP3.85
Rot. Bonds4

About 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (PubChem CID 85472426) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
PubChem CID85472426
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCOCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1
InChIInChI=1S/C24H30N4O2/c1-16-22(25-19-6-4-3-5-7-19)23-20(28(17(2)29)24(16)18-8-9-18)10-11-21(26-23)27-12-14-30-15-13-27/h3-7,10-11,16,18,22,24-25H,8-9,12-15H2,1-2H3/t16-,22-,24-/m1/s1
InChIKeyVNHSYGQTRCSLFX-OHOZJJFFSA-N
XLogP3.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 85472288
1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 130197985
4-[(2S,3R,4R)-1-acetyl-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 85472290
4-[(3R)-1-acetyl-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 129081516
1-[(3R)-4-anilino-2-cyclopropyl-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 129081366
1-[2-cyclopropyl-4-(3-fluoroanilino)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123671063
1-[(2S,3R,4R)-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 85472286
1-[(2S,3R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 129081342
(2S,3R,4R)-1-acetyl-2-cyclopropyl-4-(3-fluoroanilino)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 118660313
1-[(2S,3R)-2-cyclopropyl-3-methyl-4-[(5-methylpyrazin-2-yl)amino]-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 129081586
4-[[(2S,3R)-1-acetyl-2-cyclopropyl-3,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide
CID 167024686
[(2S,3R,4R)-1-acetyl-4-anilino-2-cyclopropyl-3,4-dihydro-2H-quinolin-3-yl]methyl acetate
CID 90428729

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (CID 85472426) is 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is CC(=O)N1c2ccc(N3CCOCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1.
What is the InChIKey of 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The InChIKey is VNHSYGQTRCSLFX-OHOZJJFFSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16-22(25-19-6-4-3-5-7-19)23-20(28(17(2)29)24(16)18-8-9-18)10-11-21(26-23)27-12-14-30-15-13-27/h3-7,10-11,16,18,22,24-25H,8-9,12-15H2,1-2H3/t16-,22-,24-/m1/s1.
What are the key properties of 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone has a molecular weight of 406.53 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is sourced from PubChem (CID 85472426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).