6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile

C16H16N6 — CID 154726599

IUPAC6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile
SMILESCCNc1cc(NCc2ccc3[nH]ncc3c2)c(C#N)cn1
InChIInChI=1S/C16H16N6/c1-2-18-16-6-15(13(7-17)9-20-16)19-8-11-3-4-14-12(5-11)10-21-22-14/h3-6,9-10H,2,8H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyMXUZJLXHNGIGOV-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.87
Rot. Bonds5

About 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile

6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile (PubChem CID 154726599) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile
PubChem CID154726599
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile
SMILESCCNc1cc(NCc2ccc3[nH]ncc3c2)c(C#N)cn1
InChIInChI=1S/C16H16N6/c1-2-18-16-6-15(13(7-17)9-20-16)19-8-11-3-4-14-12(5-11)10-21-22-14/h3-6,9-10H,2,8H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyMXUZJLXHNGIGOV-UHFFFAOYSA-N
XLogP2.87
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-indazol-5-ylmethyl)benzonitrile
CID 71150352
N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
CID 150211029
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]benzonitrile
CID 107489977
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol
CID 43690855
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
CID 30983712
5-dodecyl-1H-indazole
CID 67799721

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile (CID 154726599) is 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile is CCNc1cc(NCc2ccc3[nH]ncc3c2)c(C#N)cn1.
What is the InChIKey of 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile?
The InChIKey is MXUZJLXHNGIGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-18-16-6-15(13(7-17)9-20-16)19-8-11-3-4-14-12(5-11)10-21-22-14/h3-6,9-10H,2,8H2,1H3,(H,21,22)(H2,18,19,20).
What are the key properties of 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile?
6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile has a molecular weight of 292.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 154726599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).