N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide

C14H10N4O2 — CID 167522176

IUPACN-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide
SMILESC#Cc1c(OC)ncc2cncc(C(C#N)NC=O)c12
InChIInChI=1S/C14H10N4O2/c1-3-10-13-9(6-17-14(10)20-2)5-16-7-11(13)12(4-15)18-8-19/h1,5-8,12H,2H3,(H,18,19)
InChIKeyBHVYGPZKMBNTCZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.93
Rot. Bonds4

About N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide

N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide (PubChem CID 167522176) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide
PubChem CID167522176
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC NameN-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide
SMILESC#Cc1c(OC)ncc2cncc(C(C#N)NC=O)c12
InChIInChI=1S/C14H10N4O2/c1-3-10-13-9(6-17-14(10)20-2)5-16-7-11(13)12(4-15)18-8-19/h1,5-8,12H,2H3,(H,18,19)
InChIKeyBHVYGPZKMBNTCZ-UHFFFAOYSA-N
XLogP0.93
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
CID 167521508
2-[5-[Amino(cyano)methyl]-3-methoxy-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite
CID 167521919
2-Amino-2-[6-(2-methoxyethoxy)-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
CID 167522120
2-[5-[Amino(cyano)methyl]-3-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite;ethane
CID 167522264
2-Amino-2-[6-methoxy-5-(2-trimethylsilylethynyl)-2,7-naphthyridin-4-yl]acetonitrile
CID 167523321
4-Ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
CID 167521509
N-[cyano-[5-ethynyl-6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]acetamide
CID 167521836
N-[cyano-[5-ethynyl-6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide
CID 167522057
N-[cyano-[6-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]methyl]formamide
CID 167522068
2-[5-[Amino(cyano)methyl]-3-(2-methoxyethoxy)-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite
CID 167522265
N-[1-cyano-3-(6-methoxy-2,7-naphthyridin-4-yl)propyl]formamide
CID 167522653
2-[5-[Cyano(formamido)methyl]-3-methoxy-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite
CID 167523010

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide?
The IUPAC name of N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide (CID 167522176) is N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide.
What is the SMILES notation for N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide?
The canonical SMILES for N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide is C#Cc1c(OC)ncc2cncc(C(C#N)NC=O)c12.
What is the InChIKey of N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide?
The InChIKey is BHVYGPZKMBNTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c1-3-10-13-9(6-17-14(10)20-2)5-16-7-11(13)12(4-15)18-8-19/h1,5-8,12H,2H3,(H,18,19).
What are the key properties of N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide?
N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide has a molecular weight of 266.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide is sourced from PubChem (CID 167522176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).