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

C16H23N5O — CID 4885917

IUPAC3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(NCCO)nc(N3CCCC3)c2C1
InChIInChI=1S/C16H23N5O/c1-20-8-4-12-13(10-17)15(18-5-9-22)19-16(14(12)11-20)21-6-2-3-7-21/h22H,2-9,11H2,1H3,(H,18,19)
InChIKeyZXUOWAKCNNJBLF-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.95
Rot. Bonds4

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

3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 4885917) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID4885917
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(NCCO)nc(N3CCCC3)c2C1
InChIInChI=1S/C16H23N5O/c1-20-8-4-12-13(10-17)15(18-5-9-22)19-16(14(12)11-20)21-6-2-3-7-21/h22H,2-9,11H2,1H3,(H,18,19)
InChIKeyZXUOWAKCNNJBLF-UHFFFAOYSA-N
XLogP0.95
TPSA75.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4893894
7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4887357
3-chloro-1-(2-hydroxyethylamino)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 613602
3-(benzylamino)-7-methyl-1-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 1400740
3-[2-(2-hydroxyethoxy)ethylamino]-7-methyl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4891837
3-(2-hydroxyethylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3797618
3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658662
3-[3-(diethylamino)propylamino]-7-methyl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4886637
1-(benzylamino)-3-chloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 823255
2,4-bis(2-hydroxyethylamino)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile
CID 18753222
2-[2-(azepan-1-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 61240776
4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile
CID 18753235

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 4885917) is 3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CN1CCc2c(C#N)c(NCCO)nc(N3CCCC3)c2C1.
What is the InChIKey of 3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is ZXUOWAKCNNJBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20-8-4-12-13(10-17)15(18-5-9-22)19-16(14(12)11-20)21-6-2-3-7-21/h22H,2-9,11H2,1H3,(H,18,19).
What are the key properties of 3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 301.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 4885917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).