2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C26H34N4O3 — CID 169249740

IUPAC2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCOC1CCC(C2=C(c3cc(=O)c4c(C(N)=O)nccc4[nH]3)CN(C)C(C(C)(C)C)=C2)CC1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)22-12-17(15-6-8-16(33-5)9-7-15)18(14-30(22)4)20-13-21(31)23-19(29-20)10-11-28-24(23)25(27)32/h10-13,15-16H,6-9,14H2,1-5H3,(H2,27,32)(H,29,31)
InChIKeyUZNDCUJQHABILL-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.86
Rot. Bonds4

About 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169249740) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169249740
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCOC1CCC(C2=C(c3cc(=O)c4c(C(N)=O)nccc4[nH]3)CN(C)C(C(C)(C)C)=C2)CC1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)22-12-17(15-6-8-16(33-5)9-7-15)18(14-30(22)4)20-13-21(31)23-19(29-20)10-11-28-24(23)25(27)32/h10-13,15-16H,6-9,14H2,1-5H3,(H2,27,32)(H,29,31)
InChIKeyUZNDCUJQHABILL-UHFFFAOYSA-N
XLogP3.86
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169249740) is 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is COC1CCC(C2=C(c3cc(=O)c4c(C(N)=O)nccc4[nH]3)CN(C)C(C(C)(C)C)=C2)CC1.
What is the InChIKey of 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is UZNDCUJQHABILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-26(2,3)22-12-17(15-6-8-16(33-5)9-7-15)18(14-30(22)4)20-13-21(31)23-19(29-20)10-11-28-24(23)25(27)32/h10-13,15-16H,6-9,14H2,1-5H3,(H2,27,32)(H,29,31).
What are the key properties of 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-tert-butyl-4-(4-methoxycyclohexyl)-1-methyl-2H-pyridin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169249740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).