(3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide

C26H26ClFN4O3 — CID 11511623

IUPAC(3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)C[C@H](N)Cc3ccccc3F)Cc3cccnc32)cc1Cl
InChIInChI=1S/C26H26ClFN4O3/c1-35-23-9-8-16(11-20(23)27)15-32-25-18(6-4-10-30-25)13-22(26(32)34)31-24(33)14-19(29)12-17-5-2-3-7-21(17)28/h2-11,19,22H,12-15,29H2,1H3,(H,31,33)/t19-,22?/m1/s1
InChIKeyDITUGLUKIBJOGY-LCQOSCCDSA-N
MW496.97 g/mol
LogP3.42
Rot. Bonds8

About (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide

(3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide (PubChem CID 11511623) has the molecular formula C26H26ClFN4O3 and a molecular weight of 496.97 g/mol. Its IUPAC name is (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
PubChem CID11511623
Molecular FormulaC26H26ClFN4O3
Molecular Weight496.97 g/mol
Exact Mass496.17
IUPAC Name(3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)C[C@H](N)Cc3ccccc3F)Cc3cccnc32)cc1Cl
InChIInChI=1S/C26H26ClFN4O3/c1-35-23-9-8-16(11-20(23)27)15-32-25-18(6-4-10-30-25)13-22(26(32)34)31-24(33)14-19(29)12-17-5-2-3-7-21(17)28/h2-11,19,22H,12-15,29H2,1H3,(H,31,33)/t19-,22?/m1/s1
InChIKeyDITUGLUKIBJOGY-LCQOSCCDSA-N
XLogP3.42
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide with MolForge

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Related Compounds

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N-(2-(6-(3-chloro-4-fluorobenzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
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N-[2-[2-[(3-chloro-4-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
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7-chloro-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
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US20230303513, Example 10
CID 169075842
2-(11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 4054648
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CID 16010834
(R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)pyridin-2-yl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)-3-aminopropanamide
CID 16038315
(R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)pyridin-2-yl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)acetamide
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CID 44412679
(R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((2-(4-methoxyphenyl)acetamido)methyl)pyridin-2-yl)piperazin-1-yl)-1-oxopropan-2-yl)propanamide
CID 44412681

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
The IUPAC name of (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide (CID 11511623) is (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide is COc1ccc(CN2C(=O)C(NC(=O)C[C@H](N)Cc3ccccc3F)Cc3cccnc32)cc1Cl.
What is the InChIKey of (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
The InChIKey is DITUGLUKIBJOGY-LCQOSCCDSA-N. The full InChI is InChI=1S/C26H26ClFN4O3/c1-35-23-9-8-16(11-20(23)27)15-32-25-18(6-4-10-30-25)13-22(26(32)34)31-24(33)14-19(29)12-17-5-2-3-7-21(17)28/h2-11,19,22H,12-15,29H2,1H3,(H,31,33)/t19-,22?/m1/s1.
What are the key properties of (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
(3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide has a molecular weight of 496.97 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-[1-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 11511623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).