3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C18H28N6 — CID 4893894

IUPAC3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2
InChIInChI=1S/C18H28N6/c1-22(2)11-7-20-17-15(12-19)14-6-10-23(3)13-16(14)18(21-17)24-8-4-5-9-24/h4-11,13H2,1-3H3,(H,20,21)
InChIKeyNEKKTMANBVGMIO-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.51
Rot. Bonds5

About 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 4893894) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID4893894
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2
InChIInChI=1S/C18H28N6/c1-22(2)11-7-20-17-15(12-19)14-6-10-23(3)13-16(14)18(21-17)24-8-4-5-9-24/h4-11,13H2,1-3H3,(H,20,21)
InChIKeyNEKKTMANBVGMIO-UHFFFAOYSA-N
XLogP1.51
TPSA58.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4887357
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
5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile
CID 171987343
3-[2-(2-hydroxyethoxy)ethylamino]-7-methyl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4891837
1-(benzylamino)-3-chloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 823255
2,6-bis[2-(dimethylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 46927197
3-chloro-1-(diethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 619394
2-[2-(azepan-1-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 61240776
3-ethylsulfanyl-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 708947

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 4893894) is 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CN(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is NEKKTMANBVGMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-22(2)11-7-20-17-15(12-19)14-6-10-23(3)13-16(14)18(21-17)24-8-4-5-9-24/h4-11,13H2,1-3H3,(H,20,21).
What are the key properties of 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 328.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 4893894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).