1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C26H28N6O4 — CID 137274641

IUPAC1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCC(C(=O)/N=N/c2c(O)[nH]c3ccccc23)C(C)C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C26H28N6O4/c1-5-32-13-19(22(33)17-11-10-15(4)28-23(17)32)24(34)27-12-18(14(2)3)25(35)31-30-21-16-8-6-7-9-20(16)29-26(21)36/h6-11,13-14,18,29,36H,5,12H2,1-4H3,(H,27,34)/b31-30+
InChIKeySSHSTSHIRDSNFU-NVQSTNCTSA-N
MW488.55 g/mol
LogP4.22
Rot. Bonds7

About 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 137274641) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID137274641
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC Name1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCC(C(=O)/N=N/c2c(O)[nH]c3ccccc23)C(C)C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C26H28N6O4/c1-5-32-13-19(22(33)17-11-10-15(4)28-23(17)32)24(34)27-12-18(14(2)3)25(35)31-30-21-16-8-6-7-9-20(16)29-26(21)36/h6-11,13-14,18,29,36H,5,12H2,1-4H3,(H,27,34)/b31-30+
InChIKeySSHSTSHIRDSNFU-NVQSTNCTSA-N
XLogP4.22
TPSA141.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 137274643
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
1-ethyl-N-[1-(4-fluorophenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087103
1-ethyl-7-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 53087106
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
[(1R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2557144
1-ethyl-7-methyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90578183
N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135894654
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135894645

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 137274641) is 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCC(C(=O)/N=N/c2c(O)[nH]c3ccccc23)C(C)C)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is SSHSTSHIRDSNFU-NVQSTNCTSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-5-32-13-19(22(33)17-11-10-15(4)28-23(17)32)24(34)27-12-18(14(2)3)25(35)31-30-21-16-8-6-7-9-20(16)29-26(21)36/h6-11,13-14,18,29,36H,5,12H2,1-4H3,(H,27,34)/b31-30+.
What are the key properties of 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 137274641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).