2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile

C16H15N3 — CID 104695734

IUPAC2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NC2Cc3ccccc3C2)c1C#N
InChIInChI=1S/C16H15N3/c1-11-6-7-18-16(15(11)10-17)19-14-8-12-4-2-3-5-13(12)9-14/h2-7,14H,8-9H2,1H3,(H,18,19)
InChIKeyBISNVKIENSNSGF-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.84
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile

2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile (PubChem CID 104695734) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile
PubChem CID104695734
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NC2Cc3ccccc3C2)c1C#N
InChIInChI=1S/C16H15N3/c1-11-6-7-18-16(15(11)10-17)19-14-8-12-4-2-3-5-13(12)9-14/h2-7,14H,8-9H2,1H3,(H,18,19)
InChIKeyBISNVKIENSNSGF-UHFFFAOYSA-N
XLogP2.84
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbothioamide
CID 107854596
4-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carbonitrile
CID 107850570
2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762686
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214067
4-chloro-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 141354272
4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268914
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile
CID 143926886
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
CID 103269649
4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 113412330

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile (CID 104695734) is 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile is Cc1ccnc(NC2Cc3ccccc3C2)c1C#N.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile?
The InChIKey is BISNVKIENSNSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-6-7-18-16(15(11)10-17)19-14-8-12-4-2-3-5-13(12)9-14/h2-7,14H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile?
2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 104695734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).