2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C21H21N7 — CID 56916344

IUPAC2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCCc1ncc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccn2)CC3)cn1
InChIInChI=1S/C21H21N7/c1-2-19-25-10-14(11-26-19)20-16(9-22)21(23)27-18-6-8-28(13-17(18)20)12-15-5-3-4-7-24-15/h3-5,7,10-11H,2,6,8,12-13H2,1H3,(H2,23,27)
InChIKeyYXEBJCQEWYLMNL-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.51
Rot. Bonds4

About 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56916344) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID56916344
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCCc1ncc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccn2)CC3)cn1
InChIInChI=1S/C21H21N7/c1-2-19-25-10-14(11-26-19)20-16(9-22)21(23)27-18-6-8-28(13-17(18)20)12-15-5-3-4-7-24-15/h3-5,7,10-11H,2,6,8,12-13H2,1H3,(H2,23,27)
InChIKeyYXEBJCQEWYLMNL-UHFFFAOYSA-N
XLogP2.51
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 19256869
2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56886021
2-amino-4-(4-hydroxy-3-methylphenyl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 135990808
6-acetyl-2-amino-4-[4-(pyrazol-1-ylmethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 169413678
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
7-(pyridin-2-ylmethyl)-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine
CID 56910655
2-[2-(2-amino-3-cyano-6-ethoxycarbonyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)phenoxy]acetic acid
CID 171388136
6-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916430
2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931669
2-amino-6-(cyclopropanecarbonyl)-4-(1-phenylpyrazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 169412695
2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56881719
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 56916344) is 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is CCc1ncc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccn2)CC3)cn1.
What is the InChIKey of 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is YXEBJCQEWYLMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-2-19-25-10-14(11-26-19)20-16(9-22)21(23)27-18-6-8-28(13-17(18)20)12-15-5-3-4-7-24-15/h3-5,7,10-11H,2,6,8,12-13H2,1H3,(H2,23,27).
What are the key properties of 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 371.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56916344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).