1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine

C16H13N5 — CID 178122752

IUPAC1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(C#Cc2ccccn2)c2cc(N)ncc12
InChIInChI=1S/C16H13N5/c1-18-16-14-10-20-15(17)8-13(14)11(9-21-16)5-6-12-4-2-3-7-19-12/h2-4,7-10H,1H3,(H2,17,20)(H,18,21)
InChIKeyWFRLVTXWNUAPGN-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.05
Rot. Bonds1

About 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine

1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine (PubChem CID 178122752) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine
PubChem CID178122752
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(C#Cc2ccccn2)c2cc(N)ncc12
InChIInChI=1S/C16H13N5/c1-18-16-14-10-20-15(17)8-13(14)11(9-21-16)5-6-12-4-2-3-7-19-12/h2-4,7-10H,1H3,(H2,17,20)(H,18,21)
InChIKeyWFRLVTXWNUAPGN-UHFFFAOYSA-N
XLogP2.05
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine
CID 170626460
8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen
CID 177212480
1-[3-[4-[2-[6-amino-1-(methylamino)-2,7-naphthyridin-4-yl]ethynyl]phenoxy]azetidin-1-yl]ethanone
CID 170627442
4-[2-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine
CID 170627003
1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine
CID 178122652
N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677939
butyl 3-[4-[2-[6-amino-1-(methylamino)-2,7-naphthyridin-4-yl]ethynyl]phenoxy]azetidine-1-carboxylate
CID 175978668
1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine
CID 178122218
1-fluoro-N-[8-(methylamino)-5-[2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 178121592
N-[5-[2-[5-(difluoromethyl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677537
2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine
CID 122203335
iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane
CID 132837251

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine (CID 178122752) is 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine is CNc1ncc(C#Cc2ccccn2)c2cc(N)ncc12.
What is the InChIKey of 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is WFRLVTXWNUAPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-18-16-14-10-20-15(17)8-13(14)11(9-21-16)5-6-12-4-2-3-7-19-12/h2-4,7-10H,1H3,(H2,17,20)(H,18,21).
What are the key properties of 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine?
1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 275.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 178122752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).