2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C22H27N5 — CID 56912527

IUPAC2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1C1CCCNC1)CN(CCc1ccccc1)CC2
InChIInChI=1S/C22H27N5/c23-13-18-21(17-7-4-10-25-14-17)19-15-27(12-9-20(19)26-22(18)24)11-8-16-5-2-1-3-6-16/h1-3,5-6,17,25H,4,7-12,14-15H2,(H2,24,26)
InChIKeyHIOBABZGLOQPBR-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56912527) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID56912527
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1C1CCCNC1)CN(CCc1ccccc1)CC2
InChIInChI=1S/C22H27N5/c23-13-18-21(17-7-4-10-25-14-17)19-15-27(12-9-20(19)26-22(18)24)11-8-16-5-2-1-3-6-16/h1-3,5-6,17,25H,4,7-12,14-15H2,(H2,24,26)
InChIKeyHIOBABZGLOQPBR-UHFFFAOYSA-N
XLogP2.60
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(1,3-benzodioxol-5-yl)-4-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 95723212
2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135550601
4-amino-2-(2-hydroxyphenyl)-6-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidine-5-carbonitrile;hydrochloride
CID 135461079
7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-3-amine
CID 54919088
2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 19256869
1-[(3R)-3-[4-(methylamino)-6-(2-phenylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95832291
9-piperidin-3-yl-1,2,3,4-tetrahydroacridine
CID 165348457
6-(2-phenylethyl)-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137309732
2-amino-7-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 23853602
2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 171713187
2-benzylsulfanyl-6-(2-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137316890
N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 110262146

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 56912527) is 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1C1CCCNC1)CN(CCc1ccccc1)CC2.
What is the InChIKey of 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is HIOBABZGLOQPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c23-13-18-21(17-7-4-10-25-14-17)19-15-27(12-9-20(19)26-22(18)24)11-8-16-5-2-1-3-6-16/h1-3,5-6,17,25H,4,7-12,14-15H2,(H2,24,26).
What are the key properties of 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 361.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56912527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).