4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

C25H24N4O3 — CID 161051763

IUPAC4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCOc1cc(C#N)ccc1C1C(C(N)=O)=C(C)Nc2c(C)cnc(OCC3=CC=CC3)c21
InChIInChI=1S/C25H24N4O3/c1-14-12-28-25(32-13-16-6-4-5-7-16)22-21(20(24(27)30)15(2)29-23(14)22)18-9-8-17(11-26)10-19(18)31-3/h4-6,8-10,12,21,29H,7,13H2,1-3H3,(H2,27,30)
InChIKeyOOSZNICCFTWZSJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.85
Rot. Bonds6

About 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 161051763) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
PubChem CID161051763
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCOc1cc(C#N)ccc1C1C(C(N)=O)=C(C)Nc2c(C)cnc(OCC3=CC=CC3)c21
InChIInChI=1S/C25H24N4O3/c1-14-12-28-25(32-13-16-6-4-5-7-16)22-21(20(24(27)30)15(2)29-23(14)22)18-9-8-17(11-26)10-19(18)31-3/h4-6,8-10,12,21,29H,7,13H2,1-3H3,(H2,27,30)
InChIKeyOOSZNICCFTWZSJ-UHFFFAOYSA-N
XLogP3.85
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 161051763) is 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is COc1cc(C#N)ccc1C1C(C(N)=O)=C(C)Nc2c(C)cnc(OCC3=CC=CC3)c21.
What is the InChIKey of 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The InChIKey is OOSZNICCFTWZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-14-12-28-25(32-13-16-6-4-5-7-16)22-21(20(24(27)30)15(2)29-23(14)22)18-9-8-17(11-26)10-19(18)31-3/h4-6,8-10,12,21,29H,7,13H2,1-3H3,(H2,27,30).
What are the key properties of 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenyl)-5-(cyclopenta-1,3-dien-1-ylmethoxy)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 161051763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).