6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile

C21H18N6 — CID 174161209

IUPAC6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile
SMILESCc1ccc(C#N)nc1CC(N)c1ncccc1-n1ncc2ccccc21
InChIInChI=1S/C21H18N6/c1-14-8-9-16(12-22)26-18(14)11-17(23)21-20(7-4-10-24-21)27-19-6-3-2-5-15(19)13-25-27/h2-10,13,17H,11,23H2,1H3
InChIKeyBVTUNDBWSJIDOI-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.24
Rot. Bonds4

About 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile

6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile (PubChem CID 174161209) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile
PubChem CID174161209
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile
SMILESCc1ccc(C#N)nc1CC(N)c1ncccc1-n1ncc2ccccc21
InChIInChI=1S/C21H18N6/c1-14-8-9-16(12-22)26-18(14)11-17(23)21-20(7-4-10-24-21)27-19-6-3-2-5-15(19)13-25-27/h2-10,13,17H,11,23H2,1H3
InChIKeyBVTUNDBWSJIDOI-UHFFFAOYSA-N
XLogP3.24
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(3-indazol-1-yl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 171595326
6-[(2S)-2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-3-fluoropyridine-2-carboxamide
CID 164915902
(1S)-1-[3-(5-chloroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
CID 171595341
(1S)-1-[3-(5-fluoroindazol-1-yl)-2-pyridinyl]-2-(3-fluoro-6-isocyano-2-pyridinyl)ethanamine
CID 171595339
1-(2-indazol-1-ylphenyl)ethanamine
CID 62139804
(1S)-2-(3-fluoro-2-pyridinyl)-1-[3-[3-(trifluoromethyl)indazol-1-yl]-2-pyridinyl]ethanamine
CID 171595344
4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
CID 81060210
6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-5-methylpyridine-2-carbonitrile
CID 164915756
5-amino-2-indazol-1-ylbenzonitrile
CID 55040979
6-[(2S)-2-amino-2-[2-(6-bromo-1,2-benzoxazol-3-yl)phenyl]ethyl]-5-methylpyridine-2-carbonitrile
CID 164915491
(2-fluoro-6-indazol-1-ylphenyl)methanamine
CID 79517639
2-(1-ethylbenzimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79756634

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile?
The IUPAC name of 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile (CID 174161209) is 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile is Cc1ccc(C#N)nc1CC(N)c1ncccc1-n1ncc2ccccc21.
What is the InChIKey of 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile?
The InChIKey is BVTUNDBWSJIDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-14-8-9-16(12-22)26-18(14)11-17(23)21-20(7-4-10-24-21)27-19-6-3-2-5-15(19)13-25-27/h2-10,13,17H,11,23H2,1H3.
What are the key properties of 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile?
6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile has a molecular weight of 354.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-2-(3-indazol-1-yl-2-pyridinyl)ethyl]-5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 174161209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).