N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide

C14H14N4O3 — CID 167522068

IUPACN-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide
SMILESCOCCOc1cc2c(C(C#N)NC=O)cncc2cn1
InChIInChI=1S/C14H14N4O3/c1-20-2-3-21-14-4-11-10(7-17-14)6-16-8-12(11)13(5-15)18-9-19/h4,6-9,13H,2-3H2,1H3,(H,18,19)
InChIKeyQLWRWFADNRLZQM-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.97
Rot. Bonds7

About N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide

N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide (PubChem CID 167522068) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide.

Molecular Properties

Compound NameN-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide
PubChem CID167522068
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide
SMILESCOCCOc1cc2c(C(C#N)NC=O)cncc2cn1
InChIInChI=1S/C14H14N4O3/c1-20-2-3-21-14-4-11-10(7-17-14)6-16-8-12(11)13(5-15)18-9-19/h4,6-9,13H,2-3H2,1H3,(H,18,19)
InChIKeyQLWRWFADNRLZQM-UHFFFAOYSA-N
XLogP0.97
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[1-(2-fluoro-2-methylpropoxy)-6-methyl-2,7-naphthyridin-4-yl]ethanamine
CID 166664198
N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 167522067
N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
CID 167522659
2-[2-Hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile
CID 20384922
1-Ethoxy-2,7-naphthyridine
CID 67567793
1-(2-Methoxyethoxy)-2,6-naphthyridine
CID 68032469
2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile
CID 70601488
N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 90198950
Ethane;1-(2-methoxyethoxy)-2,6-naphthyridine
CID 143505200
2-(2-Methoxyethoxy)-1,6-naphthyridine
CID 150612413
5-Ethenyl-3-(2-methoxyethoxy)-2,7-naphthyridine
CID 167521273
4-Ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine
CID 167521512

Frequently Asked Questions

What is the IUPAC name of N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide?
The IUPAC name of N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide (CID 167522068) is N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide.
What is the SMILES notation for N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide?
The canonical SMILES for N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide is COCCOc1cc2c(C(C#N)NC=O)cncc2cn1.
What is the InChIKey of N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide?
The InChIKey is QLWRWFADNRLZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-20-2-3-21-14-4-11-10(7-17-14)6-16-8-12(11)13(5-15)18-9-19/h4,6-9,13H,2-3H2,1H3,(H,18,19).
What are the key properties of N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide?
N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide has a molecular weight of 286.29 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide is sourced from PubChem (CID 167522068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).