[3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate

C15H14N4O2 — CID 19802659

IUPAC[3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2[nH]cc(Nc3ccncc3)c2c1
InChIInChI=1S/C15H14N4O2/c1-16-15(20)21-11-2-3-13-12(8-11)14(9-18-13)19-10-4-6-17-7-5-10/h2-9,18H,1H3,(H,16,20)(H,17,19)
InChIKeyHIFYNDNVAPQKQK-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.02
Rot. Bonds3

About [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate

[3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate (PubChem CID 19802659) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate
PubChem CID19802659
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name[3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2[nH]cc(Nc3ccncc3)c2c1
InChIInChI=1S/C15H14N4O2/c1-16-15(20)21-11-2-3-13-12(8-11)14(9-18-13)19-10-4-6-17-7-5-10/h2-9,18H,1H3,(H,16,20)(H,17,19)
InChIKeyHIFYNDNVAPQKQK-UHFFFAOYSA-N
XLogP3.02
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine
CID 19802663
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
2-[5-(pyridine-4-carbonyloxy)-1H-indol-3-yl]ethylazanium acetate
CID 29685
[3-[2-[(2-anilinobenzoyl)amino]ethyl]-1H-indol-5-yl] N-butylcarbamate
CID 175502824
(3-chloro-1H-indol-5-yl) acetate
CID 174442875
tert-butyl N-(5-iodo-1H-indol-3-yl)carbamate
CID 156865208
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
(4-fluoro-1H-indol-5-yl) N-methylcarbamate
CID 175335995
1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one
CID 58170694
5-methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole
CID 5386680
N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
CID 167468016
1-[2-[5-[2-[(2-chloro-4-pyridinyl)oxy]ethoxy]-1H-indol-3-yl]ethyl]-3-methylurea
CID 122698024

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate?
The IUPAC name of [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate (CID 19802659) is [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate.
What is the SMILES notation for [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate?
The canonical SMILES for [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate is CNC(=O)Oc1ccc2[nH]cc(Nc3ccncc3)c2c1.
What is the InChIKey of [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate?
The InChIKey is HIFYNDNVAPQKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-16-15(20)21-11-2-3-13-12(8-11)14(9-18-13)19-10-4-6-17-7-5-10/h2-9,18H,1H3,(H,16,20)(H,17,19).
What are the key properties of [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate?
[3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate has a molecular weight of 282.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate is sourced from PubChem (CID 19802659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).