N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine

C17H17N3 — CID 155392032

IUPACN-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine
SMILESCC/C=C\c1cccc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C17H17N3/c1-2-3-5-14-6-4-7-17(19-14)20-15-9-8-13-10-11-18-16(13)12-15/h3-12,18H,2H2,1H3,(H,19,20)/b5-3-
InChIKeyIQPSUMZBYQNLKF-HYXAFXHYSA-N
MW263.34 g/mol
LogP4.73
Rot. Bonds4

About N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine

N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine (PubChem CID 155392032) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine.

Molecular Properties

Compound NameN-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine
PubChem CID155392032
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine
SMILESCC/C=C\c1cccc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C17H17N3/c1-2-3-5-14-6-4-7-17(19-14)20-15-9-8-13-10-11-18-16(13)12-15/h3-12,18H,2H2,1H3,(H,19,20)/b5-3-
InChIKeyIQPSUMZBYQNLKF-HYXAFXHYSA-N
XLogP4.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-tert-butyl-2-pyridinyl)-1H-indol-6-amine
CID 155412230
N-(1H-indol-6-yl)ethanesulfonamide
CID 110730845
N-pyridin-4-yl-1H-indol-6-amine
CID 19047631
N-ethoxy-1H-indol-6-amine;dihydrobromide
CID 140506919
3-(1H-indol-6-yl)prop-2-en-1-amine
CID 169463691
3-(1H-indol-6-ylamino)-2-methylbenzonitrile
CID 70020979
(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
CID 18388284
N-[5-(trifluoromethoxy)-2-pyridinyl]-1H-indol-6-amine
CID 155412381
N-(4-ethyl-2-pyridinyl)-1H-indol-5-amine
CID 155412453
6-(1H-indol-6-ylamino)-4-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 171850841
N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine
CID 155412429
1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
CID 17181458

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine?
The IUPAC name of N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine (CID 155392032) is N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine.
What is the SMILES notation for N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine?
The canonical SMILES for N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine is CC/C=C\c1cccc(Nc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine?
The InChIKey is IQPSUMZBYQNLKF-HYXAFXHYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-3-5-14-6-4-7-17(19-14)20-15-9-8-13-10-11-18-16(13)12-15/h3-12,18H,2H2,1H3,(H,19,20)/b5-3-.
What are the key properties of N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine?
N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine has a molecular weight of 263.34 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine is sourced from PubChem (CID 155392032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).