N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide

C22H29N5O3 — CID 46339970

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)c2cc3c(=O)n(CCOC)ccc3nc2C)c1C
InChIInChI=1S/C22H29N5O3/c1-6-27-16(4)17(15(3)25-27)7-9-23-21(28)18-13-19-20(24-14(18)2)8-10-26(22(19)29)11-12-30-5/h8,10,13H,6-7,9,11-12H2,1-5H3,(H,23,28)
InChIKeyWVGKDMHWGJBBCI-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.16
Rot. Bonds8

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 46339970) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
PubChem CID46339970
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)c2cc3c(=O)n(CCOC)ccc3nc2C)c1C
InChIInChI=1S/C22H29N5O3/c1-6-27-16(4)17(15(3)25-27)7-9-23-21(28)18-13-19-20(24-14(18)2)8-10-26(22(19)29)11-12-30-5/h8,10,13H,6-7,9,11-12H2,1-5H3,(H,23,28)
InChIKeyWVGKDMHWGJBBCI-UHFFFAOYSA-N
XLogP2.16
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
6-(2-methoxyethyl)-2-methyl-N-(3-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339963
6-(2-methoxyethyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339967
1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058291
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058255
N-(2,4-dimethoxyphenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339914
ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate
CID 46339917
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
6-(furan-2-ylmethyl)-2-methyl-5-oxo-N-(3-phenylpropyl)-1,6-naphthyridine-3-carboxamide
CID 20946822
N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide
CID 43865190
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(2-methoxyethyl)acetamide
CID 46395102

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide (CID 46339970) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide is CCn1nc(C)c(CCNC(=O)c2cc3c(=O)n(CCOC)ccc3nc2C)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The InChIKey is WVGKDMHWGJBBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-6-27-16(4)17(15(3)25-27)7-9-23-21(28)18-13-19-20(24-14(18)2)8-10-26(22(19)29)11-12-30-5/h8,10,13H,6-7,9,11-12H2,1-5H3,(H,23,28).
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 46339970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).