N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

C22H23N3O2 — CID 91040277

IUPACN-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCN(CC1CCc2ccccc21)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H23N3O2/c1-25(14-18-8-7-16-4-2-3-5-19(16)18)21(27)11-6-15-12-17-9-10-20(26)24-22(17)23-13-15/h2-6,11-13,18H,7-10,14H2,1H3,(H,23,24,26)
InChIKeyNAMFIOSPMSBGFH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.17
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (PubChem CID 91040277) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
PubChem CID91040277
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCN(CC1CCc2ccccc21)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H23N3O2/c1-25(14-18-8-7-16-4-2-3-5-19(16)18)21(27)11-6-15-12-17-9-10-20(26)24-22(17)23-13-15/h2-6,11-13,18H,7-10,14H2,1H3,(H,23,24,26)
InChIKeyNAMFIOSPMSBGFH-UHFFFAOYSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
CID 91449251
N-methyl-N-[(3-methyl-1H-inden-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 66780186
(E)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10474590
N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(3-propan-2-yl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 66967669
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 66967531
(E)-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10474956
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;propane
CID 164917787
(E)-N-[(2-chloro-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10070056
N-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 69183931
(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10343753
N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;2,2,2-trifluoroacetic acid
CID 66780920
3-(7-amino-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
CID 165369537

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (CID 91040277) is N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is CN(CC1CCc2ccccc21)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The InChIKey is NAMFIOSPMSBGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(14-18-8-7-16-4-2-3-5-19(16)18)21(27)11-6-15-12-17-9-10-20(26)24-22(17)23-13-15/h2-6,11-13,18H,7-10,14H2,1H3,(H,23,24,26).
What are the key properties of N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-ylmethyl)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 91040277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).