4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide

C24H25N5O3 — CID 11848338

IUPAC4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide
SMILESCc1nc(C(=O)N2CCCCC2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12
InChIInChI=1S/C24H25N5O3/c1-14-21-16(12-19(27-14)24(31)29-9-3-2-4-10-29)22(17(13-26-21)23(25)30)28-18-6-5-7-20-15(18)8-11-32-20/h5-7,12-13H,2-4,8-11H2,1H3,(H2,25,30)(H,26,28)
InChIKeyNTOCVHDSNDEPDI-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.34
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide

4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide (PubChem CID 11848338) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide
PubChem CID11848338
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide
SMILESCc1nc(C(=O)N2CCCCC2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12
InChIInChI=1S/C24H25N5O3/c1-14-21-16(12-19(27-14)24(31)29-9-3-2-4-10-29)22(17(13-26-21)23(25)30)28-18-6-5-7-20-15(18)8-11-32-20/h5-7,12-13H,2-4,8-11H2,1H3,(H2,25,30)(H,26,28)
InChIKeyNTOCVHDSNDEPDI-UHFFFAOYSA-N
XLogP3.34
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide (CID 11848338) is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide is Cc1nc(C(=O)N2CCCCC2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide?
The InChIKey is NTOCVHDSNDEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-21-16(12-19(27-14)24(31)29-9-3-2-4-10-29)22(17(13-26-21)23(25)30)28-18-6-5-7-20-15(18)8-11-32-20/h5-7,12-13H,2-4,8-11H2,1H3,(H2,25,30)(H,26,28).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide?
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 11848338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).