5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile

C24H30N4O3 — CID 145263438

IUPAC5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile
SMILESCCOc1ncc(C)c2c1C(C(C)C)C(C(N)=O)=C(C)N2.COc1cccc(C#N)c1
InChIInChI=1S/C16H23N3O2.C8H7NO/c1-6-21-16-13-11(8(2)3)12(15(17)20)10(5)19-14(13)9(4)7-18-16;1-10-8-4-2-3-7(5-8)6-9/h7-8,11,19H,6H2,1-5H3,(H2,17,20);2-5H,1H3
InChIKeyMNBKQTWMBSJHIS-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.28
Rot. Bonds5

About 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile

5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile (PubChem CID 145263438) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile.

Molecular Properties

Compound Name5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile
PubChem CID145263438
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile
SMILESCCOc1ncc(C)c2c1C(C(C)C)C(C(N)=O)=C(C)N2.COc1cccc(C#N)c1
InChIInChI=1S/C16H23N3O2.C8H7NO/c1-6-21-16-13-11(8(2)3)12(15(17)20)10(5)19-14(13)9(4)7-18-16;1-10-8-4-2-3-7(5-8)6-9/h7-8,11,19H,6H2,1-5H3,(H2,17,20);2-5H,1H3
InChIKeyMNBKQTWMBSJHIS-UHFFFAOYSA-N
XLogP4.28
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile?
The IUPAC name of 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile (CID 145263438) is 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile.
What is the SMILES notation for 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile?
The canonical SMILES for 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile is CCOc1ncc(C)c2c1C(C(C)C)C(C(N)=O)=C(C)N2.COc1cccc(C#N)c1.
What is the InChIKey of 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile?
The InChIKey is MNBKQTWMBSJHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.C8H7NO/c1-6-21-16-13-11(8(2)3)12(15(17)20)10(5)19-14(13)9(4)7-18-16;1-10-8-4-2-3-7(5-8)6-9/h7-8,11,19H,6H2,1-5H3,(H2,17,20);2-5H,1H3.
What are the key properties of 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile?
5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile has a molecular weight of 422.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;3-methoxybenzonitrile is sourced from PubChem (CID 145263438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).