N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide

C14H14N4O2 — CID 167522653

IUPACN-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide
SMILESCOc1cc2c(CCC(C#N)NC=O)cncc2cn1
InChIInChI=1S/C14H14N4O2/c1-20-14-4-13-10(2-3-12(5-15)18-9-19)6-16-7-11(13)8-17-14/h4,6-9,12H,2-3H2,1H3,(H,18,19)
InChIKeyBYEGPDQFYBWVII-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.21
Rot. Bonds6

About N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide

N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide (PubChem CID 167522653) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide.

Molecular Properties

Compound NameN-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide
PubChem CID167522653
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide
SMILESCOc1cc2c(CCC(C#N)NC=O)cncc2cn1
InChIInChI=1S/C14H14N4O2/c1-20-14-4-13-10(2-3-12(5-15)18-9-19)6-16-7-11(13)8-17-14/h4,6-9,12H,2-3H2,1H3,(H,18,19)
InChIKeyBYEGPDQFYBWVII-UHFFFAOYSA-N
XLogP1.21
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522652
5-((2S)(2-Piperidyl))-2-methoxypyridine
CID 7048169
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 80066820
1-(5-Fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 80066964
1-(5-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 80067130
2-(6-Methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708375
3-[6-Methoxy-5-(trifluoromethyl)pyridin-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 152195896
6'-Methoxy-[3,3'-bipyridin]-4-amine
CID 50969455
1,6-naphthyridin-2-yl N-prop-2-enylcarbamate
CID 17900187
(1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine
CID 45376359
1,1-Bis(6-methoxypyridin-3-yl)methanamine
CID 57878416
3-Methoxy-2,7-naphthyridine
CID 59164398

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide?
The IUPAC name of N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide (CID 167522653) is N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide.
What is the SMILES notation for N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide?
The canonical SMILES for N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide is COc1cc2c(CCC(C#N)NC=O)cncc2cn1.
What is the InChIKey of N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide?
The InChIKey is BYEGPDQFYBWVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-20-14-4-13-10(2-3-12(5-15)18-9-19)6-16-7-11(13)8-17-14/h4,6-9,12H,2-3H2,1H3,(H,18,19).
What are the key properties of N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide?
N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide has a molecular weight of 270.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide is sourced from PubChem (CID 167522653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).