2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine

C21H24N4 — CID 70131421

IUPAC2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine
SMILESCN1CCCCC1c1cccc2ccc(Nc3ncccc3N)cc12
InChIInChI=1S/C21H24N4/c1-25-13-3-2-9-20(25)17-7-4-6-15-10-11-16(14-18(15)17)24-21-19(22)8-5-12-23-21/h4-8,10-12,14,20H,2-3,9,13,22H2,1H3,(H,23,24)
InChIKeyVFAGKYRZRMUUPN-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.72
Rot. Bonds3

About 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine

2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine (PubChem CID 70131421) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine
PubChem CID70131421
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine
SMILESCN1CCCCC1c1cccc2ccc(Nc3ncccc3N)cc12
InChIInChI=1S/C21H24N4/c1-25-13-3-2-9-20(25)17-7-4-6-15-10-11-16(14-18(15)17)24-21-19(22)8-5-12-23-21/h4-8,10-12,14,20H,2-3,9,13,22H2,1H3,(H,23,24)
InChIKeyVFAGKYRZRMUUPN-UHFFFAOYSA-N
XLogP4.72
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine
CID 102540559
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
4-[3-(1-methylpiperidin-2-yl)-2-pyridinyl]morpholine
CID 102541606
N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine
CID 18967507
2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine
CID 54675477
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691
4-ethyl-6-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 70815484
2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine
CID 22724253
2-N-(1-methylpiperidin-4-yl)pyridine-2,3-diamine
CID 21050456
3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde
CID 174681214
3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine
CID 102539762

Frequently Asked Questions

What is the IUPAC name of 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine (CID 70131421) is 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine is CN1CCCCC1c1cccc2ccc(Nc3ncccc3N)cc12.
What is the InChIKey of 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine?
The InChIKey is VFAGKYRZRMUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-25-13-3-2-9-20(25)17-7-4-6-15-10-11-16(14-18(15)17)24-21-19(22)8-5-12-23-21/h4-8,10-12,14,20H,2-3,9,13,22H2,1H3,(H,23,24).
What are the key properties of 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine?
2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[8-(1-methylpiperidin-2-yl)naphthalen-2-yl]pyridine-2,3-diamine is sourced from PubChem (CID 70131421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).