7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C20H30N6O — CID 4887357

IUPAC7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(NCCN3CCOCC3)nc(N3CCCC3)c2C1
InChIInChI=1S/C20H30N6O/c1-24-8-4-16-17(14-21)19(22-5-9-25-10-12-27-13-11-25)23-20(18(16)15-24)26-6-2-3-7-26/h2-13,15H2,1H3,(H,22,23)
InChIKeyYQLCAIBRRUVSSG-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.29
Rot. Bonds5

About 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 4887357) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID4887357
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(NCCN3CCOCC3)nc(N3CCCC3)c2C1
InChIInChI=1S/C20H30N6O/c1-24-8-4-16-17(14-21)19(22-5-9-25-10-12-27-13-11-25)23-20(18(16)15-24)26-6-2-3-7-26/h2-13,15H2,1H3,(H,22,23)
InChIKeyYQLCAIBRRUVSSG-UHFFFAOYSA-N
XLogP1.29
TPSA67.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4885917
3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4893894
3-(benzylamino)-7-methyl-1-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 1400740
3-chloro-1-(2-hydroxyethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 613602
3-[3-(diethylamino)propylamino]-7-methyl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4886637
9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride
CID 45371073
7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4860273
1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658457
2-[2-(azepan-1-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 61240776
7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 3771706
7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
CID 4910734
3-methyl-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743371

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 4887357) is 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CN1CCc2c(C#N)c(NCCN3CCOCC3)nc(N3CCCC3)c2C1.
What is the InChIKey of 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is YQLCAIBRRUVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-24-8-4-16-17(14-21)19(22-5-9-25-10-12-27-13-11-25)23-20(18(16)15-24)26-6-2-3-7-26/h2-13,15H2,1H3,(H,22,23).
What are the key properties of 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 370.50 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 4887357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).