N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine

C19H23N5 — CID 19694155

IUPACN-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine
SMILESc1ccc(NCCN2CCN(c3cccc4[nH]ccc34)CC2)nc1
InChIInChI=1S/C19H23N5/c1-2-8-21-19(6-1)22-10-11-23-12-14-24(15-13-23)18-5-3-4-17-16(18)7-9-20-17/h1-9,20H,10-15H2,(H,21,22)
InChIKeyCXABFNVWAQDCAU-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.80
Rot. Bonds5

About N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine

N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine (PubChem CID 19694155) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine
PubChem CID19694155
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC NameN-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine
SMILESc1ccc(NCCN2CCN(c3cccc4[nH]ccc34)CC2)nc1
InChIInChI=1S/C19H23N5/c1-2-8-21-19(6-1)22-10-11-23-12-14-24(15-13-23)18-5-3-4-17-16(18)7-9-20-17/h1-9,20H,10-15H2,(H,21,22)
InChIKeyCXABFNVWAQDCAU-UHFFFAOYSA-N
XLogP2.80
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10110269
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 66864566
4-chloro-2-methyl-5-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]pyridazin-3-one
CID 174250402
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
CID 2729522
2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine
CID 18993057
4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091638
2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 172837364
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617
(2S)-1-(8-azabicyclo[3.2.1]octan-8-yl)-4-[4-(1H-indol-4-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 57076352
4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091655

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine?
The IUPAC name of N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine (CID 19694155) is N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine?
The canonical SMILES for N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine is c1ccc(NCCN2CCN(c3cccc4[nH]ccc34)CC2)nc1.
What is the InChIKey of N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine?
The InChIKey is CXABFNVWAQDCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-2-8-21-19(6-1)22-10-11-23-12-14-24(15-13-23)18-5-3-4-17-16(18)7-9-20-17/h1-9,20H,10-15H2,(H,21,22).
What are the key properties of N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine?
N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine has a molecular weight of 321.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 19694155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).