3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

C27H33N3O4 — CID 42367751

IUPAC3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCOc1ccc2cc([C@H](C)NC(=O)c3cn(C(C)C)cc(C(=O)NCC(C)C)c3=O)ccc2c1
InChIInChI=1S/C27H33N3O4/c1-16(2)13-28-26(32)23-14-30(17(3)4)15-24(25(23)31)27(33)29-18(5)19-7-8-21-12-22(34-6)10-9-20(21)11-19/h7-12,14-18H,13H2,1-6H3,(H,28,32)(H,29,33)/t18-/m0/s1
InChIKeyYVANQYLUJUZKKI-SFHVURJKSA-N
MW463.58 g/mol
LogP4.47
Rot. Bonds8

About 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 42367751) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID42367751
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCOc1ccc2cc([C@H](C)NC(=O)c3cn(C(C)C)cc(C(=O)NCC(C)C)c3=O)ccc2c1
InChIInChI=1S/C27H33N3O4/c1-16(2)13-28-26(32)23-14-30(17(3)4)15-24(25(23)31)27(33)29-18(5)19-7-8-21-12-22(34-6)10-9-20(21)11-19/h7-12,14-18H,13H2,1-6H3,(H,28,32)(H,29,33)/t18-/m0/s1
InChIKeyYVANQYLUJUZKKI-SFHVURJKSA-N
XLogP4.47
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide
CID 56754976
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 42368008
1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26323834
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide
CID 74250280
(E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide
CID 177224278
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68761728
1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
CID 62772783

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 42367751) is 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is COc1ccc2cc([C@H](C)NC(=O)c3cn(C(C)C)cc(C(=O)NCC(C)C)c3=O)ccc2c1.
What is the InChIKey of 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is YVANQYLUJUZKKI-SFHVURJKSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-16(2)13-28-26(32)23-14-30(17(3)4)15-24(25(23)31)27(33)29-18(5)19-7-8-21-12-22(34-6)10-9-20(21)11-19/h7-12,14-18H,13H2,1-6H3,(H,28,32)(H,29,33)/t18-/m0/s1.
What are the key properties of 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 463.58 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 42367751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).